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

C22H14ClFN2O2 — CID 52998470

IUPAC6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
SMILESO=C(c1ccncc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H14ClFN2O2/c23-16-3-6-20-18(11-16)22(28)19(21(27)15-7-9-25-10-8-15)13-26(20)12-14-1-4-17(24)5-2-14/h1-11,13H,12H2
InChIKeyPSVYUQJIEGAEDC-UHFFFAOYSA-N
MW392.82 g/mol
LogP4.47
Rot. Bonds4

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

6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one (PubChem CID 52998470) has the molecular formula C22H14ClFN2O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
PubChem CID52998470
Molecular FormulaC22H14ClFN2O2
Molecular Weight392.82 g/mol
Exact Mass392.07
IUPAC Name6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
SMILESO=C(c1ccncc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H14ClFN2O2/c23-16-3-6-20-18(11-16)22(28)19(21(27)15-7-9-25-10-8-15)13-26(20)12-14-1-4-17(24)5-2-14/h1-11,13H,12H2
InChIKeyPSVYUQJIEGAEDC-UHFFFAOYSA-N
XLogP4.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one (CID 52998470) is 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one.
What is the SMILES notation for 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The canonical SMILES for 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one is O=C(c1ccncc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
The InChIKey is PSVYUQJIEGAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O2/c23-16-3-6-20-18(11-16)22(28)19(21(27)15-7-9-25-10-8-15)13-26(20)12-14-1-4-17(24)5-2-14/h1-11,13H,12H2.
What are the key properties of 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one?
6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one has a molecular weight of 392.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one is sourced from PubChem (CID 52998470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).