6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one

C12H9ClN2OS — CID 47409940

IUPAC6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccs2)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H9ClN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6,11,14H,(H,15,16)
InChIKeyKCRAAYFLYVCEQZ-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.26
Rot. Bonds1

About 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one

6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 47409940) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID47409940
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccs2)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H9ClN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6,11,14H,(H,15,16)
InChIKeyKCRAAYFLYVCEQZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
CID 11221417
6-chloro-2-sulfanyl-2,3-dihydro-1H-quinazolin-4-one
CID 155669394
(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 97211396
6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
CID 91010488
5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
CID 134097067
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94191280
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
4,11-bis(3-chlorophenyl)-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 2842828

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one (CID 47409940) is 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccs2)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is KCRAAYFLYVCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6,11,14H,(H,15,16).
What are the key properties of 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 264.74 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 47409940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).