2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

C21H23ClN4O — CID 135532443

IUPAC2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
InChIKeyWNEWPRAKPXLTSH-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.33
Rot. Bonds5

About 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135532443) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID135532443
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
InChIKeyWNEWPRAKPXLTSH-UHFFFAOYSA-N
XLogP3.33
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.33
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-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (CID 135532443) is 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is O=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is WNEWPRAKPXLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27).
What are the key properties of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 382.90 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135532443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).