6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one

C22H13Cl2FN2O2 — CID 52998469

IUPAC6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
SMILESO=C(c1ccncc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H13Cl2FN2O2/c23-15-2-4-20-17(9-15)22(29)18(21(28)13-5-7-26-8-6-13)12-27(20)11-14-1-3-16(25)10-19(14)24/h1-10,12H,11H2
InChIKeyPHWSIUIUJCFADT-UHFFFAOYSA-N
MW427.26 g/mol
LogP5.12
Rot. Bonds4

About 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one

6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one (PubChem CID 52998469) has the molecular formula C22H13Cl2FN2O2 and a molecular weight of 427.26 g/mol. Its IUPAC name is 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
PubChem CID52998469
Molecular FormulaC22H13Cl2FN2O2
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
SMILESO=C(c1ccncc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H13Cl2FN2O2/c23-15-2-4-20-17(9-15)22(29)18(21(28)13-5-7-26-8-6-13)12-27(20)11-14-1-3-16(25)10-19(14)24/h1-10,12H,11H2
InChIKeyPHWSIUIUJCFADT-UHFFFAOYSA-N
XLogP5.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
CID 52998470
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759387
N-(2-chlorophenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000849
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000858
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394
2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53000940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The IUPAC name of 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one (CID 52998469) is 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one.
What is the SMILES notation for 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The canonical SMILES for 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one is O=C(c1ccncc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The InChIKey is PHWSIUIUJCFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O2/c23-15-2-4-20-17(9-15)22(29)18(21(28)13-5-7-26-8-6-13)12-27(20)11-14-1-3-16(25)10-19(14)24/h1-10,12H,11H2.
What are the key properties of 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one has a molecular weight of 427.26 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one is sourced from PubChem (CID 52998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).