3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile

C15H9FN4 — CID 72712205

IUPAC3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile
SMILES[H]/N=c1\c2ccccc2nc(C#N)n1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN4/c16-10-5-7-11(8-6-10)20-14(9-17)19-13-4-2-1-3-12(13)15(20)18/h1-8,18H/b18-15+
InChIKeyVDHOEGWZLZNUNP-OBGWFSINSA-N
MW264.26 g/mol
LogP2.52
Rot. Bonds1

About 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile

3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile (PubChem CID 72712205) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile
PubChem CID72712205
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile
SMILES[H]/N=c1\c2ccccc2nc(C#N)n1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN4/c16-10-5-7-11(8-6-10)20-14(9-17)19-13-4-2-1-3-12(13)15(20)18/h1-8,18H/b18-15+
InChIKeyVDHOEGWZLZNUNP-OBGWFSINSA-N
XLogP2.52
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 4011950
4-(4-aminophenyl)-3-imino-5H-pyrazino[2,3-b]indole-2-carbonitrile
CID 135581128
3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 51365620
6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
CID 5018617
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-ethyl-4-oxoquinazoline-2-carbonitrile
CID 10655605
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
(Z)-3-amino-2-[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile
CID 98410966
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 144600852
3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 2097847

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile (CID 72712205) is 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile is [H]/N=c1\c2ccccc2nc(C#N)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile?
The InChIKey is VDHOEGWZLZNUNP-OBGWFSINSA-N. The full InChI is InChI=1S/C15H9FN4/c16-10-5-7-11(8-6-10)20-14(9-17)19-13-4-2-1-3-12(13)15(20)18/h1-8,18H/b18-15+.
What are the key properties of 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile?
3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile has a molecular weight of 264.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-iminoquinazoline-2-carbonitrile is sourced from PubChem (CID 72712205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).