1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one

C22H18N2O — CID 139602401

IUPAC1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
SMILESCc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N2O/c1-16-8-5-6-12-19(16)20-14-18-11-7-13-23-21(18)24(22(20)25)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyNWDSEHSKSOICMH-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.42
Rot. Bonds3

About 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one

1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one (PubChem CID 139602401) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
PubChem CID139602401
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
SMILESCc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N2O/c1-16-8-5-6-12-19(16)20-14-18-11-7-13-23-21(18)24(22(20)25)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyNWDSEHSKSOICMH-UHFFFAOYSA-N
XLogP4.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620123

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one (CID 139602401) is 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one is Cc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one?
The InChIKey is NWDSEHSKSOICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-8-5-6-12-19(16)20-14-18-11-7-13-23-21(18)24(22(20)25)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one?
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).