3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one

C17H15ClN2O — CID 25318659

IUPAC3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H15ClN2O/c1-11-2-7-16-12(8-11)9-13(17(21)20-16)10-19-15-5-3-14(18)4-6-15/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyJOPSXMYZZMWABD-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.10
Rot. Bonds3

About 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one

3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 25318659) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID25318659
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H15ClN2O/c1-11-2-7-16-12(8-11)9-13(17(21)20-16)10-19-15-5-3-14(18)4-6-15/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyJOPSXMYZZMWABD-UHFFFAOYSA-N
XLogP4.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-tert-butyl-3-[(4-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 95855567
2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616721
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one (CID 25318659) is 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is JOPSXMYZZMWABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-2-7-16-12(8-11)9-13(17(21)20-16)10-19-15-5-3-14(18)4-6-15/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one?
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 298.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 25318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).