3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

C18H17ClN2O — CID 25318868

IUPAC3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C18H17ClN2O/c1-11-6-12(2)17-13(7-11)8-14(18(22)21-17)10-20-16-5-3-4-15(19)9-16/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyUHYDZBIAOMBTFY-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.41
Rot. Bonds3

About 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 25318868) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID25318868
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C18H17ClN2O/c1-11-6-12(2)17-13(7-11)8-14(18(22)21-17)10-20-16-5-3-4-15(19)9-16/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyUHYDZBIAOMBTFY-UHFFFAOYSA-N
XLogP4.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172724
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 46950123
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide
CID 3801810
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110325345

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 25318868) is 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1.
What is the InChIKey of 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is UHYDZBIAOMBTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11-6-12(2)17-13(7-11)8-14(18(22)21-17)10-20-16-5-3-4-15(19)9-16/h3-9,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 312.80 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 25318868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).