6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one

C20H13ClFN3O — CID 137438945

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-7-13(8-17(21)24-11)14-9-15-19(26)16(22)10-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26)
InChIKeyOTAKFNCMFTUMEI-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.75
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438945) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438945
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-7-13(8-17(21)24-11)14-9-15-19(26)16(22)10-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26)
InChIKeyOTAKFNCMFTUMEI-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137439002
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
CID 137438886
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657380
6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438387
7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
6-(2-chloro-6-methyl-4-pyridinyl)-N-[(4-hydroxyphenyl)methyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-sulfinamide
CID 137438372
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438212
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
CID 137438313
N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
CID 154604954
7-[3-[[6-chloro-4-[6-[(4-methylpiperazin-1-yl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-2-(2-ethylpentyl)-1H-1,8-naphthyridin-4-one
CID 155170991
2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide
CID 154657354

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438945) is 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(F)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is OTAKFNCMFTUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c1-11-7-13(8-17(21)24-11)14-9-15-19(26)16(22)10-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 365.80 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).