4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C18H20N6O3S — CID 126898602

IUPAC4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C18H20N6O3S/c25-9-8-24-12-20-15-11-13(1-2-14(15)16(24)26)22-4-6-23(7-5-22)18(27)21-17-19-3-10-28-17/h1-3,10-12,25H,4-9H2,(H,19,21,27)
InChIKeyZKPWKTQIZVZWBS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.20
Rot. Bonds4

About 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 126898602) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID126898602
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C18H20N6O3S/c25-9-8-24-12-20-15-11-13(1-2-14(15)16(24)26)22-4-6-23(7-5-22)18(27)21-17-19-3-10-28-17/h1-3,10-12,25H,4-9H2,(H,19,21,27)
InChIKeyZKPWKTQIZVZWBS-UHFFFAOYSA-N
XLogP1.20
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
7-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898525
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
3-(2-hydroxyethyl)-7-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898584
3-(2-hydroxyethyl)-7-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898790
3-(2-hydroxyethyl)-7-[4-[2-(2-oxopyrazin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898736
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 126898602) is 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nccs1)N1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZKPWKTQIZVZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c25-9-8-24-12-20-15-11-13(1-2-14(15)16(24)26)22-4-6-23(7-5-22)18(27)21-17-19-3-10-28-17/h1-3,10-12,25H,4-9H2,(H,19,21,27).
What are the key properties of 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)-4-oxoquinazolin-7-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126898602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).