6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one

C16H16ClFN2O — CID 91046137

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one
SMILESCN1C=C2CCN(Cc3ccc(F)c(Cl)c3)C=C2C(=O)C1
InChIInChI=1S/C16H16ClFN2O/c1-19-8-12-4-5-20(9-13(12)16(21)10-19)7-11-2-3-15(18)14(17)6-11/h2-3,6,8-9H,4-5,7,10H2,1H3
InChIKeyLDVHMWZIWBBGPL-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.97
Rot. Bonds2

About 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one

6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one (PubChem CID 91046137) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one
PubChem CID91046137
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one
SMILESCN1C=C2CCN(Cc3ccc(F)c(Cl)c3)C=C2C(=O)C1
InChIInChI=1S/C16H16ClFN2O/c1-19-8-12-4-5-20(9-13(12)16(21)10-19)7-11-2-3-15(18)14(17)6-11/h2-3,6,8-9H,4-5,7,10H2,1H3
InChIKeyLDVHMWZIWBBGPL-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one with MolForge

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Related Compounds

1-Bromo-6-[(3-chloro-4-fluorophenyl)methyl]-3,7,8,8a-tetrahydro-2,6-naphthyridin-4-one
CID 91378609
8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
CID 123477821
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
CID 123574599
1-[(4-Chlorophenyl)methyl]-5-(2-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174653632
1-[(3-Chlorophenyl)methyl]-5-(2-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174653715
1-[(3-Chlorophenyl)methyl]-5-(4-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174653789
1-[(3-Chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174665220
1-[(2-Chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174665222
1-[(2-Chlorophenyl)methyl]-5-(2-fluorophenyl)-2,4-dihydropyridin-3-one
CID 174665373
1-[(2-Chlorophenyl)methyl]-5-(4-fluorophenyl)-2,4-dihydropyridin-3-one
CID 175273694
1-[(4-Chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
CID 175275767
2-[(3-Chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 60650406

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one (CID 91046137) is 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one is CN1C=C2CCN(Cc3ccc(F)c(Cl)c3)C=C2C(=O)C1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one?
The InChIKey is LDVHMWZIWBBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-19-8-12-4-5-20(9-13(12)16(21)10-19)7-11-2-3-15(18)14(17)6-11/h2-3,6,8-9H,4-5,7,10H2,1H3.
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one?
6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one has a molecular weight of 306.77 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one is sourced from PubChem (CID 91046137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).