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

C19H12ClFN4O — CID 162498515

IUPAC3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cccnc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H12ClFN4O/c20-12-3-1-5-15(9-12)25-18(26)16-10-13(21)6-7-17(16)24-19(25)23-14-4-2-8-22-11-14/h1-11H,(H,23,24)
InChIKeyVREBVOXNBJNVAF-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.32
Rot. Bonds3

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

3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one (PubChem CID 162498515) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
PubChem CID162498515
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cccnc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H12ClFN4O/c20-12-3-1-5-15(9-12)25-18(26)16-10-13(21)6-7-17(16)24-19(25)23-14-4-2-8-22-11-14/h1-11H,(H,23,24)
InChIKeyVREBVOXNBJNVAF-UHFFFAOYSA-N
XLogP4.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
CID 162498529
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
CID 162498369
2-[1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-3-(3-chlorophenyl)-6-fluoroquinazolin-4-one
CID 90232998
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one (CID 162498515) is 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one is O=c1c2cc(F)ccc2nc(Nc2cccnc2)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one?
The InChIKey is VREBVOXNBJNVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-12-3-1-5-15(9-12)25-18(26)16-10-13(21)6-7-17(16)24-19(25)23-14-4-2-8-22-11-14/h1-11H,(H,23,24).
What are the key properties of 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one?
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one has a molecular weight of 366.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).