N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine

C17H15ClN2O — CID 23880571

IUPACN-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(Nc3cccc(Cl)c3)cc(C)nc12
InChIInChI=1S/C17H15ClN2O/c1-11-9-15(20-13-6-3-5-12(18)10-13)14-7-4-8-16(21-2)17(14)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyBPGJNCDJPWQFBS-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.95
Rot. Bonds3

About N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine

N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine (PubChem CID 23880571) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
PubChem CID23880571
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(Nc3cccc(Cl)c3)cc(C)nc12
InChIInChI=1S/C17H15ClN2O/c1-11-9-15(20-13-6-3-5-12(18)10-13)14-7-4-8-16(21-2)17(14)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyBPGJNCDJPWQFBS-UHFFFAOYSA-N
XLogP4.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
[4-(3-chloroanilino)-8-methoxyquinolin-2-yl]-piperidin-1-ylmethanone
CID 53020993
N-(3-chlorophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258540
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine (CID 23880571) is N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(Nc3cccc(Cl)c3)cc(C)nc12.
What is the InChIKey of N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is BPGJNCDJPWQFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-9-15(20-13-6-3-5-12(18)10-13)14-7-4-8-16(21-2)17(14)19-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine?
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 298.77 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 23880571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).