2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one

C19H17FN4O2 — CID 135908349

IUPAC2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O2/c20-14-6-2-4-8-16(14)23-9-11-24(12-10-23)19(26)17-21-15-7-3-1-5-13(15)18(25)22-17/h1-8H,9-12H2,(H,21,22,25)
InChIKeyBYLOGVNHRJKLKW-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.02
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one

2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 135908349) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID135908349
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O2/c20-14-6-2-4-8-16(14)23-9-11-24(12-10-23)19(26)17-21-15-7-3-1-5-13(15)18(25)22-17/h1-8H,9-12H2,(H,21,22,25)
InChIKeyBYLOGVNHRJKLKW-UHFFFAOYSA-N
XLogP2.02
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-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

2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154888668
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
CID 136930387
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one (CID 135908349) is 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one is O=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is BYLOGVNHRJKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-6-2-4-8-16(14)23-9-11-24(12-10-23)19(26)17-21-15-7-3-1-5-13(15)18(25)22-17/h1-8H,9-12H2,(H,21,22,25).
What are the key properties of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 352.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135908349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).