N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline

C24H21ClN2O — CID 66800089

IUPACN-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
InChIInChI=1S/C24H21ClN2O/c1-16-7-5-8-17-13-18(15-26-19-9-6-10-20(14-19)28-2)24(27-23(16)17)21-11-3-4-12-22(21)25/h3-14,26H,15H2,1-2H3
InChIKeyVFFFCXDTAHWZTH-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.48
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline

N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline (PubChem CID 66800089) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline
PubChem CID66800089
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC NameN-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
InChIInChI=1S/C24H21ClN2O/c1-16-7-5-8-17-13-18(15-26-19-9-6-10-20(14-19)28-2)24(27-23(16)17)21-11-3-4-12-22(21)25/h3-14,26H,15H2,1-2H3
InChIKeyVFFFCXDTAHWZTH-UHFFFAOYSA-N
XLogP6.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3,4-dimethoxyaniline
CID 66800170
3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane
CID 134686657
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 25070006
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 89431886
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline?
The IUPAC name of N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline (CID 66800089) is N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline?
The canonical SMILES for N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline is COc1cccc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline?
The InChIKey is VFFFCXDTAHWZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-16-7-5-8-17-13-18(15-26-19-9-6-10-20(14-19)28-2)24(27-23(16)17)21-11-3-4-12-22(21)25/h3-14,26H,15H2,1-2H3.
What are the key properties of N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline?
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline has a molecular weight of 388.90 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline is sourced from PubChem (CID 66800089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).