2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one

C21H21FN4O2 — CID 135457269

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-11-13-26(14-12-25)20(27)10-9-19-23-18-4-2-1-3-17(18)21(28)24-19/h1-8H,9-14H2,(H,23,24,28)
InChIKeyCPGPHRFTIHQLET-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.34
Rot. Bonds4

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 135457269) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID135457269
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-11-13-26(14-12-25)20(27)10-9-19-23-18-4-2-1-3-17(18)21(28)24-19/h1-8H,9-14H2,(H,23,24,28)
InChIKeyCPGPHRFTIHQLET-UHFFFAOYSA-N
XLogP2.34
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one (CID 135457269) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one is O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is CPGPHRFTIHQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-11-13-26(14-12-25)20(27)10-9-19-23-18-4-2-1-3-17(18)21(28)24-19/h1-8H,9-14H2,(H,23,24,28).
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 380.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135457269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).