2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

C16H13FN2O — CID 5468911

IUPAC2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C16H13FN2O/c1-9-7-10(2)18-16-15(9)14(20)8-13(19-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKGFUEOKHUVKWBU-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (PubChem CID 5468911) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
PubChem CID5468911
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C16H13FN2O/c1-9-7-10(2)18-16-15(9)14(20)8-13(19-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKGFUEOKHUVKWBU-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
7-Bromo-2-phenyl-1,8-naphthyridin-4-ol
CID 10402581
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
2-[(4-Ethylphenyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 712047
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
CID 94005
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (CID 5468911) is 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(=O)cc(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The InChIKey is KGFUEOKHUVKWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-9-7-10(2)18-16-15(9)14(20)8-13(19-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one has a molecular weight of 268.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).