1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone

C17H14N2O — CID 145465231

IUPAC1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2)nc2ccncc12
InChIInChI=1S/C17H14N2O/c1-11-3-5-13(6-4-11)17-9-14(12(2)20)15-10-18-8-7-16(15)19-17/h3-10H,1-2H3
InChIKeyHLEJTTKXPNONQX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.81
Rot. Bonds2

About 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone

1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone (PubChem CID 145465231) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
PubChem CID145465231
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2)nc2ccncc12
InChIInChI=1S/C17H14N2O/c1-11-3-5-13(6-4-11)17-9-14(12(2)20)15-10-18-8-7-16(15)19-17/h3-10H,1-2H3
InChIKeyHLEJTTKXPNONQX-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane
CID 144674868
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
CID 161000215
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]-2-methylpropanamide
CID 77105303
methyl 2-[4-[4-(5-methyl-4-oxohexoxy)phenyl]phenyl]-1,6-naphthyridine-4-carboxylate
CID 159798118
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
CID 77105490
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 144674882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone (CID 145465231) is 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone is CC(=O)c1cc(-c2ccc(C)cc2)nc2ccncc12.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone?
The InChIKey is HLEJTTKXPNONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-11-3-5-13(6-4-11)17-9-14(12(2)20)15-10-18-8-7-16(15)19-17/h3-10H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone?
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone has a molecular weight of 262.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone is sourced from PubChem (CID 145465231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).