1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol

C21H24N2O2 — CID 45166310

IUPAC1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CNCC(C)O)cc1
InChIInChI=1S/C21H24N2O2/c1-14-4-5-17-11-18(13-22-12-15(2)24)21(23-20(17)10-14)16-6-8-19(25-3)9-7-16/h4-11,15,22,24H,12-13H2,1-3H3
InChIKeyXBCBRGIRJIXCIC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.69
Rot. Bonds6

About 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol

1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol (PubChem CID 45166310) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
PubChem CID45166310
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CNCC(C)O)cc1
InChIInChI=1S/C21H24N2O2/c1-14-4-5-17-11-18(13-22-12-15(2)24)21(23-20(17)10-14)16-6-8-19(25-3)9-7-16/h4-11,15,22,24H,12-13H2,1-3H3
InChIKeyXBCBRGIRJIXCIC-UHFFFAOYSA-N
XLogP3.69
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 72566384
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol (CID 45166310) is 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol is COc1ccc(-c2nc3cc(C)ccc3cc2CNCC(C)O)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol?
The InChIKey is XBCBRGIRJIXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-4-5-17-11-18(13-22-12-15(2)24)21(23-20(17)10-14)16-6-8-19(25-3)9-7-16/h4-11,15,22,24H,12-13H2,1-3H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol?
1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol has a molecular weight of 336.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol is sourced from PubChem (CID 45166310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).