2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C18H22N4O — CID 135417551

IUPAC2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCCC2
InChIInChI=1S/C18H22N4O/c23-17-15-8-4-5-9-16(15)19-18(20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,19,20,23)
InChIKeyIUHUYCJRJLWYHF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135417551) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135417551
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCCC2
InChIInChI=1S/C18H22N4O/c23-17-15-8-4-5-9-16(15)19-18(20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,19,20,23)
InChIKeyIUHUYCJRJLWYHF-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135491328
3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethyl]-propionamide
CID 44338129
3,5,6,7-Tetrahydro-2-(4-phenyl-1-piperazinyl)-4H-cyclopentapyrimidin-4-one
CID 135500938
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135417602
5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400037
6-methyl-5-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135402502
2-anilino-6-methyl-5-pentyl-1H-pyrimidin-4-one
CID 135513627
4-prop-2-enyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137640592

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135417551) is 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCCC2.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is IUHUYCJRJLWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-15-8-4-5-9-16(15)19-18(20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,19,20,23).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135417551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).