7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C19H24N4O3 — CID 126898540

IUPAC7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=C(C1CCC1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C19H24N4O3/c24-11-10-23-13-20-17-12-15(4-5-16(17)19(23)26)21-6-8-22(9-7-21)18(25)14-2-1-3-14/h4-5,12-14,24H,1-3,6-11H2
InChIKeyMFAIIABZAPEILZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.84
Rot. Bonds4

About 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126898540) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126898540
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=C(C1CCC1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C19H24N4O3/c24-11-10-23-13-20-17-12-15(4-5-16(17)19(23)26)21-6-8-22(9-7-21)18(25)14-2-1-3-14/h4-5,12-14,24H,1-3,6-11H2
InChIKeyMFAIIABZAPEILZ-UHFFFAOYSA-N
XLogP0.84
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126899009
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898584
7-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898525
4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 126898602
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898874
3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898563

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126898540) is 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is O=C(C1CCC1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is MFAIIABZAPEILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-11-10-23-13-20-17-12-15(4-5-16(17)19(23)26)21-6-8-22(9-7-21)18(25)14-2-1-3-14/h4-5,12-14,24H,1-3,6-11H2.
What are the key properties of 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 356.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126898540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).