3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile

C20H12FN5O — CID 166807393

IUPAC3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(Nc3cccnc3)n(-c3ccccc3F)c(=O)c2c1
InChIInChI=1S/C20H12FN5O/c21-16-5-1-2-6-18(16)26-19(27)15-10-13(11-22)7-8-17(15)25-20(26)24-14-4-3-9-23-12-14/h1-10,12H,(H,24,25)
InChIKeyOXTXKBRXMXFMKO-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.54
Rot. Bonds3

About 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile

3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile (PubChem CID 166807393) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
PubChem CID166807393
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(Nc3cccnc3)n(-c3ccccc3F)c(=O)c2c1
InChIInChI=1S/C20H12FN5O/c21-16-5-1-2-6-18(16)26-19(27)15-10-13(11-22)7-8-17(15)25-20(26)24-14-4-3-9-23-12-14/h1-10,12H,(H,24,25)
InChIKeyOXTXKBRXMXFMKO-UHFFFAOYSA-N
XLogP3.54
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
3-chloro-4-[(6-chloro-4-oxo-3-phenylquinazolin-2-yl)amino]benzonitrile
CID 162495453
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
N-(4-cyanophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532541
3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498478
3-nitro-4-(pyridin-3-ylamino)benzonitrile
CID 58408467
3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-2-(pyridin-3-ylamino)quinoxaline-6-carbonitrile
CID 90038871

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile?
The IUPAC name of 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile (CID 166807393) is 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile?
The canonical SMILES for 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile is N#Cc1ccc2nc(Nc3cccnc3)n(-c3ccccc3F)c(=O)c2c1.
What is the InChIKey of 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile?
The InChIKey is OXTXKBRXMXFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c21-16-5-1-2-6-18(16)26-19(27)15-10-13(11-22)7-8-17(15)25-20(26)24-14-4-3-9-23-12-14/h1-10,12H,(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile?
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile has a molecular weight of 357.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile is sourced from PubChem (CID 166807393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).