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

C12H10N2OS — CID 658113

IUPAC2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccs2)Nc2ccccc21
InChIInChI=1S/C12H10N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7,11,13H,(H,14,15)
InChIKeyZYBQITBKNGCUHV-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.60
Rot. Bonds1

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

2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 658113) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID658113
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccs2)Nc2ccccc21
InChIInChI=1S/C12H10N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7,11,13H,(H,14,15)
InChIKeyZYBQITBKNGCUHV-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azd7762
CID 11152667
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
2-Phenyl-2,3-dihydroquinazolin-4(1h)-one
CID 270800
2,3-Dihydro-1-methyl-2-(5-nitro-2-thienyl)-4(1H)-quinazolinone
CID 328916
6-methyl-2-oxo-N-phenyl-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2837423
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 2867455
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(1-Ethyl-4-oxo-3-thiophen-2-yl-1,4-dihydro-quinolin-2-yl)-isobutyramide
CID 1860237
6-phenyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2471294
ethyl 4-oxo-2-thien-2-yl-1,4-dihydroquinazolin-3(2H)-ylcarbamate
CID 4103134

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one (CID 658113) is 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccs2)Nc2ccccc21.
What is the InChIKey of 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZYBQITBKNGCUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7,11,13H,(H,14,15).
What are the key properties of 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one?
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 230.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 658113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).