3-thiophen-2-ylquinazolin-4-one

C12H8N2OS — CID 14492504

IUPAC3-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccs1
InChIInChI=1S/C12H8N2OS/c15-12-9-4-1-2-5-10(9)13-8-14(12)11-6-3-7-16-11/h1-8H
InChIKeyALNQQRGIROMCIE-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.45
Rot. Bonds1

About 3-thiophen-2-ylquinazolin-4-one

3-thiophen-2-ylquinazolin-4-one (PubChem CID 14492504) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-thiophen-2-ylquinazolin-4-one
PubChem CID14492504
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name3-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccs1
InChIInChI=1S/C12H8N2OS/c15-12-9-4-1-2-5-10(9)13-8-14(12)11-6-3-7-16-11/h1-8H
InChIKeyALNQQRGIROMCIE-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
3-(2-methyltetrazol-5-yl)quinazolin-4-one
CID 14022304
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one
CID 122444728
2-thiophen-2-ylbenzotriazole
CID 658026
6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 132528672
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
3-phthalazin-1-ylquinazolin-4-one
CID 91403899
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715
4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 24515822
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-thiophen-2-ylquinazolin-4-one (CID 14492504) is 3-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-thiophen-2-ylquinazolin-4-one is O=c1c2ccccc2ncn1-c1cccs1.
What is the InChIKey of 3-thiophen-2-ylquinazolin-4-one?
The InChIKey is ALNQQRGIROMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-9-4-1-2-5-10(9)13-8-14(12)11-6-3-7-16-11/h1-8H.
What are the key properties of 3-thiophen-2-ylquinazolin-4-one?
3-thiophen-2-ylquinazolin-4-one has a molecular weight of 228.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 14492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).