(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

C18H13ClN2OS — CID 7327692

IUPAC(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccccc1Cl
InChIInChI=1S/C18H13ClN2OS/c19-13-7-2-4-9-15(13)21-17(16-10-5-11-23-16)20-14-8-3-1-6-12(14)18(21)22/h1-11,17,20H/t17-/m1/s1
InChIKeyVUEOWHYSYKVUPS-QGZVFWFLSA-N
MW340.84 g/mol
LogP5.17
Rot. Bonds2

About (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 7327692) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID7327692
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccccc1Cl
InChIInChI=1S/C18H13ClN2OS/c19-13-7-2-4-9-15(13)21-17(16-10-5-11-23-16)20-14-8-3-1-6-12(14)18(21)22/h1-11,17,20H/t17-/m1/s1
InChIKeyVUEOWHYSYKVUPS-QGZVFWFLSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007376
(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673060
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
3-[4-(difluoromethoxy)phenyl]-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 42915041
(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 97324736
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 4574683
3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one
CID 144607688
3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one
CID 11771211
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896
2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625422
2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 71625882

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (CID 7327692) is (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccccc1Cl.
What is the InChIKey of (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is VUEOWHYSYKVUPS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-13-7-2-4-9-15(13)21-17(16-10-5-11-23-16)20-14-8-3-1-6-12(14)18(21)22/h1-11,17,20H/t17-/m1/s1.
What are the key properties of (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 340.84 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7327692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).