3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one

C19H19ClN2O — CID 25318828

IUPAC3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyDEAHODGGOMBEGH-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.72
Rot. Bonds3

About 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 25318828) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID25318828
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyDEAHODGGOMBEGH-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
7,8-dimethyl-3-[[4-(4-methylpiperazin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 95855619
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 11625042
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318836
3-(2-amino-2-methylpropyl)-7,8-dimethyl-1H-quinolin-2-one
CID 84631386
7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 855490
7,8-dimethyl-3-[[(2-methylcyclohexyl)amino]methyl]-1H-quinolin-2-one
CID 3168144
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110325145
1-(4-chlorophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137004
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 25318828) is 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is DEAHODGGOMBEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 326.83 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 25318828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).