N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

C18H17ClN2O — CID 19900495

IUPACN-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3Cl)cc(C)nc12
InChIInChI=1S/C18H17ClN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyLZAOKMUSJSQZOK-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.82
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (PubChem CID 19900495) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
PubChem CID19900495
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3Cl)cc(C)nc12
InChIInChI=1S/C18H17ClN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyLZAOKMUSJSQZOK-UHFFFAOYSA-N
XLogP4.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
CID 122186007
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (CID 19900495) is N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(NCc3ccccc3Cl)cc(C)nc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is LZAOKMUSJSQZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 19900495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).