1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one

C20H18N2OS — CID 71624231

IUPAC1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one
SMILESCc1ccc(C2N(C)c3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-14-12-13-18(24-14)19-21(2)17-11-7-6-10-16(17)20(23)22(19)15-8-4-3-5-9-15/h3-13,19H,1-2H3
InChIKeyAGFMSNMIBZJSFZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.85
Rot. Bonds2

About 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one

1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one (PubChem CID 71624231) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one
PubChem CID71624231
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one
SMILESCc1ccc(C2N(C)c3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-14-12-13-18(24-14)19-21(2)17-11-7-6-10-16(17)20(23)22(19)15-8-4-3-5-9-15/h3-13,19H,1-2H3
InChIKeyAGFMSNMIBZJSFZ-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one?
The IUPAC name of 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one (CID 71624231) is 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one.
What is the SMILES notation for 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one?
The canonical SMILES for 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one is Cc1ccc(C2N(C)c3ccccc3C(=O)N2c2ccccc2)s1.
What is the InChIKey of 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one?
The InChIKey is AGFMSNMIBZJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-12-13-18(24-14)19-21(2)17-11-7-6-10-16(17)20(23)22(19)15-8-4-3-5-9-15/h3-13,19H,1-2H3.
What are the key properties of 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one?
1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one has a molecular weight of 334.44 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylthiophen-2-yl)-3-phenyl-2H-quinazolin-4-one is sourced from PubChem (CID 71624231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).