4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol

C21H24N2O2 — CID 133394349

IUPAC4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
SMILESCOc1cccc2c(NC(CCCO)c3ccccc3)cc(C)nc12
InChIInChI=1S/C21H24N2O2/c1-15-14-19(17-10-6-12-20(25-2)21(17)22-15)23-18(11-7-13-24)16-8-4-3-5-9-16/h3-6,8-10,12,14,18,24H,7,11,13H2,1-2H3,(H,22,23)
InChIKeyULTNOAIOMRJWAL-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.48
Rot. Bonds7

About 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol

4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol (PubChem CID 133394349) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
PubChem CID133394349
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
SMILESCOc1cccc2c(NC(CCCO)c3ccccc3)cc(C)nc12
InChIInChI=1S/C21H24N2O2/c1-15-14-19(17-10-6-12-20(25-2)21(17)22-15)23-18(11-7-13-24)16-8-4-3-5-9-16/h3-6,8-10,12,14,18,24H,7,11,13H2,1-2H3,(H,22,23)
InChIKeyULTNOAIOMRJWAL-UHFFFAOYSA-N
XLogP4.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 166383018
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133369312
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 167774460
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
1-(4-hydroxy-1-phenylbutyl)-3-(2-methoxy-6-methylpyrimidin-4-yl)urea
CID 154759643

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol (CID 133394349) is 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol is COc1cccc2c(NC(CCCO)c3ccccc3)cc(C)nc12.
What is the InChIKey of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol?
The InChIKey is ULTNOAIOMRJWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-14-19(17-10-6-12-20(25-2)21(17)22-15)23-18(11-7-13-24)16-8-4-3-5-9-16/h3-6,8-10,12,14,18,24H,7,11,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol?
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol has a molecular weight of 336.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol is sourced from PubChem (CID 133394349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).