OSD

7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine

Created:	2019-07-03
Last modified:	2020-04-29

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3 entries where OSD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	17

2D diagram of OSD

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Chemical Component Summary
Name	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[3-(aminomethyl)-4-propan-2-yloxy-phenyl]-4-methyl-quinolin-2-amine
Formula	C₂₀ H₂₃ N₃ O
Molecular Weight	321.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN
SMILES	CACTVS	3.385	CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N
Canonical SMILES	CACTVS	3.385	CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N
InChI	InChI	1.03	InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
InChIKey	InChI	1.03	RMUSFJBGBOTWMV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146025973

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