7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one

C20H28N4O — CID 126897338

IUPAC7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C20H28N4O/c1-15(2)24-14-21-19-13-17(7-8-18(19)20(24)25)23-11-9-22(10-12-23)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyOZQPYDXKLGALDC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.04
Rot. Bonds3

About 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one

7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one (PubChem CID 126897338) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
PubChem CID126897338
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C20H28N4O/c1-15(2)24-14-21-19-13-17(7-8-18(19)20(24)25)23-11-9-22(10-12-23)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyOZQPYDXKLGALDC-UHFFFAOYSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897381
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
3-propan-2-yl-7-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazolin-4-one
CID 126897319
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897457
7-[4-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897605

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one (CID 126897338) is 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(C4CCCC4)CC3)ccc2c1=O.
What is the InChIKey of 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one?
The InChIKey is OZQPYDXKLGALDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)24-14-21-19-13-17(7-8-18(19)20(24)25)23-11-9-22(10-12-23)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3.
What are the key properties of 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one?
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one has a molecular weight of 340.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).