7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C20H26N4O3 — CID 126897247

IUPAC7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)C4CCOC4)CC3)ccc2c1=O
InChIInChI=1S/C20H26N4O3/c1-14(2)24-13-21-18-11-16(3-4-17(18)20(24)26)22-6-8-23(9-7-22)19(25)15-5-10-27-12-15/h3-4,11,13-15H,5-10,12H2,1-2H3
InChIKeyUSAIQJOVGIWYFP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.66
Rot. Bonds3

About 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897247) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897247
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)C4CCOC4)CC3)ccc2c1=O
InChIInChI=1S/C20H26N4O3/c1-14(2)24-13-21-18-11-16(3-4-17(18)20(24)26)22-6-8-23(9-7-22)19(25)15-5-10-27-12-15/h3-4,11,13-15H,5-10,12H2,1-2H3
InChIKeyUSAIQJOVGIWYFP-UHFFFAOYSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897276
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897605
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897520
7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897241
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440

Frequently Asked Questions

What is the IUPAC name of 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897247) is 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(C(=O)C4CCOC4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is USAIQJOVGIWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)24-13-21-18-11-16(3-4-17(18)20(24)26)22-6-8-23(9-7-22)19(25)15-5-10-27-12-15/h3-4,11,13-15H,5-10,12H2,1-2H3.
What are the key properties of 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 370.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).