3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one

C21H15ClFN3O — CID 18362996

IUPAC3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(CCc2ccccn2)n1-c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-8,10,12-13H,9,11H2
InChIKeyDWDSPMIASAJCCZ-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.36
Rot. Bonds4

About 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one

3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one (PubChem CID 18362996) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
PubChem CID18362996
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC Name3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(CCc2ccccn2)n1-c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-8,10,12-13H,9,11H2
InChIKeyDWDSPMIASAJCCZ-UHFFFAOYSA-N
XLogP4.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]methylamino]pyridine-3-carbonitrile
CID 10309769
3-(2-chlorophenyl)-6-fluoro-2-[[(6-methyl-2-pyridinyl)amino]methyl]quinazolin-4-one
CID 10237579
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one
CID 142801646
3-(2-chlorophenyl)-2-[(E)-2-(4,6-dimethylpyrimidin-2-yl)ethenyl]-6-fluoroquinazolin-4-one
CID 18363007
3-(2-chlorophenyl)-2-[(E)-2-[6-(difluoromethyl)-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one
CID 18362994
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-hydroxy-2-(6-methyl-2-pyridinyl)ethenyl]quinazolin-4-one
CID 177462706
3-(2-chlorophenyl)-6-fluoro-2-[2-hydroxy-2-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinazolin-4-one
CID 23284570
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 145212635
N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide
CID 18363000
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-[6-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]ethenyl]quinazolin-4-one
CID 18362990
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one (CID 18362996) is 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one is O=c1c2cc(F)ccc2nc(CCc2ccccn2)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one?
The InChIKey is DWDSPMIASAJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-8,10,12-13H,9,11H2.
What are the key properties of 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one?
3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one has a molecular weight of 379.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one is sourced from PubChem (CID 18362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).