5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one

C16H12ClFN2O — CID 71622207

IUPAC5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one
SMILESCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Cl)nccc21
InChIInChI=1S/C16H12ClFN2O/c1-2-20-9-12(10-3-5-11(18)6-4-10)15(21)14-13(20)7-8-19-16(14)17/h3-9H,2H2,1H3
InChIKeyORBBQNYUBRAZAZ-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.88
Rot. Bonds2

About 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one

5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one (PubChem CID 71622207) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one
PubChem CID71622207
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one
SMILESCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Cl)nccc21
InChIInChI=1S/C16H12ClFN2O/c1-2-20-9-12(10-3-5-11(18)6-4-10)15(21)14-13(20)7-8-19-16(14)17/h3-9H,2H2,1H3
InChIKeyORBBQNYUBRAZAZ-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23089929
1-ethyl-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 156756923
3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
CID 142405829
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
CID 171576508
2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
CID 119011703
4-(4-fluorophenyl)-2-methylisoquinolin-1-one
CID 134913964
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one
CID 18613749
3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
CID 123721507
2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
CID 96591103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one?
The IUPAC name of 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one (CID 71622207) is 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one is CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Cl)nccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one?
The InChIKey is ORBBQNYUBRAZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-2-20-9-12(10-3-5-11(18)6-4-10)15(21)14-13(20)7-8-19-16(14)17/h3-9H,2H2,1H3.
What are the key properties of 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one?
5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one has a molecular weight of 302.74 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 71622207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).