3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one

C17H16N2O — CID 116997621

IUPAC3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one
SMILESCNc1cccc(-c2ccc3[nH]c(=O)c(C)cc3c2)c1
InChIInChI=1S/C17H16N2O/c1-11-8-14-9-13(6-7-16(14)19-17(11)20)12-4-3-5-15(10-12)18-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyYTJVTBPXXWWSQZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.55
Rot. Bonds2

About 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one

3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one (PubChem CID 116997621) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one
PubChem CID116997621
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one
SMILESCNc1cccc(-c2ccc3[nH]c(=O)c(C)cc3c2)c1
InChIInChI=1S/C17H16N2O/c1-11-8-14-9-13(6-7-16(14)19-17(11)20)12-4-3-5-15(10-12)18-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyYTJVTBPXXWWSQZ-UHFFFAOYSA-N
XLogP3.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-5-yl)-N-methylaniline
CID 116996135
3-methyl-1H-benzo[g]quinolin-2-one
CID 18347999
5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
3-(chloromethyl)-6-[3-(methylamino)phenyl]-1H-pyridin-2-one
CID 21404529
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
N,2-dimethyl-1H-indol-5-amine
CID 12537594
acetaldehyde;N-methyl-3-(3-methylphenyl)aniline
CID 142087034
6-(3-methylphenyl)-1H-quinazolin-2-one
CID 123895489
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
CID 82469493
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The IUPAC name of 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one (CID 116997621) is 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one is CNc1cccc(-c2ccc3[nH]c(=O)c(C)cc3c2)c1.
What is the InChIKey of 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The InChIKey is YTJVTBPXXWWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-8-14-9-13(6-7-16(14)19-17(11)20)12-4-3-5-15(10-12)18-2/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one?
3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 116997621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).