2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one

C15H16N4O3 — CID 135966308

IUPAC2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESCC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H16N4O3/c1-10(20)18-6-8-19(9-7-18)15(22)13-16-12-5-3-2-4-11(12)14(21)17-13/h2-5H,6-9H2,1H3,(H,16,17,21)
InChIKeyUGQMURMYNZMAHZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.23
Rot. Bonds1

About 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one

2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 135966308) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
PubChem CID135966308
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESCC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H16N4O3/c1-10(20)18-6-8-19(9-7-18)15(22)13-16-12-5-3-2-4-11(12)14(21)17-13/h2-5H,6-9H2,1H3,(H,16,17,21)
InChIKeyUGQMURMYNZMAHZ-UHFFFAOYSA-N
XLogP0.23
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
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
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]-3H-quinazolin-4-one
CID 137253174
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one (CID 135966308) is 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one is CC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is UGQMURMYNZMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10(20)18-6-8-19(9-7-18)15(22)13-16-12-5-3-2-4-11(12)14(21)17-13/h2-5H,6-9H2,1H3,(H,16,17,21).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 300.32 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135966308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).