3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

C19H15ClN2OS — CID 71624100

IUPAC3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)s1
InChIInChI=1S/C19H15ClN2OS/c1-12-9-10-17(24-12)18-21-16-8-3-2-7-15(16)19(23)22(18)14-6-4-5-13(20)11-14/h2-11,18,21H,1H3
InChIKeyQJRNGUJKBMYZJH-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.48
Rot. Bonds2

About 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 71624100) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID71624100
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)s1
InChIInChI=1S/C19H15ClN2OS/c1-12-9-10-17(24-12)18-21-16-8-3-2-7-15(16)19(23)22(18)14-6-4-5-13(20)11-14/h2-11,18,21H,1H3
InChIKeyQJRNGUJKBMYZJH-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 71624100) is 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is Cc1ccc(C2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)s1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QJRNGUJKBMYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-12-9-10-17(24-12)18-21-16-8-3-2-7-15(16)19(23)22(18)14-6-4-5-13(20)11-14/h2-11,18,21H,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 354.86 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71624100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).