7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one

C20H26N4O2 — CID 126896770

IUPAC7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)CC4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C20H26N4O2/c1-22-14-21-18-13-16(6-7-17(18)20(22)26)23-8-10-24(11-9-23)19(25)12-15-4-2-3-5-15/h6-7,13-15H,2-5,8-12H2,1H3
InChIKeyIIESKNBQAQTITM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.16
Rot. Bonds3

About 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896770) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896770
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)CC4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C20H26N4O2/c1-22-14-21-18-13-16(6-7-17(18)20(22)26)23-8-10-24(11-9-23)19(25)12-15-4-2-3-5-15/h6-7,13-15H,2-5,8-12H2,1H3
InChIKeyIIESKNBQAQTITM-UHFFFAOYSA-N
XLogP2.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126897115
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896825
7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896774
7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896832
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897686

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896770) is 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(C(=O)CC4CCCC4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is IIESKNBQAQTITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-14-21-18-13-16(6-7-17(18)20(22)26)23-8-10-24(11-9-23)19(25)12-15-4-2-3-5-15/h6-7,13-15H,2-5,8-12H2,1H3.
What are the key properties of 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).