7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one

C11H7FN4O — CID 105487560

IUPAC7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyCVMROLXXPYSNEK-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.45
Rot. Bonds1

About 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one

7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one (PubChem CID 105487560) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
PubChem CID105487560
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyCVMROLXXPYSNEK-UHFFFAOYSA-N
XLogP1.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
6-fluoro-4-methoxy-1H-quinazolin-2-one
CID 84773047
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
2-(aminomethyl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;1-fluoro-4-methylbenzene
CID 143996516
ethyl N-[(7-fluoro-2-oxo-1H-quinazolin-4-yl)amino]carbamate
CID 21473986
2-[(R)-amino-(3-fluorophenoxy)methyl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894305
2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one
CID 50959381
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
2-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
CID 170973177
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
(5S)-5-[5-fluoro-2-(1H-pyrazol-4-yl)phenyl]-3-methylideneoxolan-2-one
CID 178146750
6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375441

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The IUPAC name of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one (CID 105487560) is 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one.
What is the SMILES notation for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The canonical SMILES for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one is O=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1.
What is the InChIKey of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The InChIKey is CVMROLXXPYSNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17).
What are the key properties of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one has a molecular weight of 230.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one is sourced from PubChem (CID 105487560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).