6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

C23H22N2O2 — CID 126587514

IUPAC6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(cc2Cc2ccccc2)CCC(=O)N3)cn(C)c1=O
InChIInChI=1S/C23H22N2O2/c1-15-10-19(14-25(2)23(15)27)20-13-21-17(8-9-22(26)24-21)12-18(20)11-16-6-4-3-5-7-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyRRXONMHKAACGRU-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.84
Rot. Bonds3

About 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587514) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587514
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(cc2Cc2ccccc2)CCC(=O)N3)cn(C)c1=O
InChIInChI=1S/C23H22N2O2/c1-15-10-19(14-25(2)23(15)27)20-13-21-17(8-9-22(26)24-21)12-18(20)11-16-6-4-3-5-7-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyRRXONMHKAACGRU-UHFFFAOYSA-N
XLogP3.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one
CID 145256295
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
CID 126572411
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 147626110
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one;1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methyl-3,4-dihydroquinolin-2-one
CID 157090170
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
5-[4-(bromomethyl)-2,5-dimethylphenyl]-1,3-dimethylpyridin-2-one
CID 134247860
6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 58318174
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (CID 126587514) is 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(cc2Cc2ccccc2)CCC(=O)N3)cn(C)c1=O.
What is the InChIKey of 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RRXONMHKAACGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-10-19(14-25(2)23(15)27)20-13-21-17(8-9-22(26)24-21)12-18(20)11-16-6-4-3-5-7-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26).
What are the key properties of 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).