3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one

C16H12BrClFN3O — CID 176913565

IUPAC3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
SMILESCNc1c(Br)c(=O)n(-c2ccccc2C)c2nc(Cl)c(F)cc12
InChIInChI=1S/C16H12BrClFN3O/c1-8-5-3-4-6-11(8)22-15-9(7-10(19)14(18)21-15)13(20-2)12(17)16(22)23/h3-7,20H,1-2H3
InChIKeyIEPQKZSTAWLIRZ-UHFFFAOYSA-N
MW396.65 g/mol
LogP4.29
Rot. Bonds2

About 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one

3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one (PubChem CID 176913565) has the molecular formula C16H12BrClFN3O and a molecular weight of 396.65 g/mol. Its IUPAC name is 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
PubChem CID176913565
Molecular FormulaC16H12BrClFN3O
Molecular Weight396.65 g/mol
Exact Mass394.98
IUPAC Name3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
SMILESCNc1c(Br)c(=O)n(-c2ccccc2C)c2nc(Cl)c(F)cc12
InChIInChI=1S/C16H12BrClFN3O/c1-8-5-3-4-6-11(8)22-15-9(7-10(19)14(18)21-15)13(20-2)12(17)16(22)23/h3-7,20H,1-2H3
InChIKeyIEPQKZSTAWLIRZ-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one
CID 176913623
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167088612
4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167080503
7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 167088494
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
CID 156697785
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
N-(2,6-dichlorophenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23961826
7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
CID 29461068
2-bromo-5-(2-methylphenyl)phenanthridin-6-one
CID 146311346
8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one
CID 101205316

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one (CID 176913565) is 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one is CNc1c(Br)c(=O)n(-c2ccccc2C)c2nc(Cl)c(F)cc12.
What is the InChIKey of 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one?
The InChIKey is IEPQKZSTAWLIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFN3O/c1-8-5-3-4-6-11(8)22-15-9(7-10(19)14(18)21-15)13(20-2)12(17)16(22)23/h3-7,20H,1-2H3.
What are the key properties of 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one?
3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one has a molecular weight of 396.65 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 176913565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).