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

C19H16N2OS — CID 71625422

IUPAC2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccsc1C1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-13-11-12-23-17(13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3
InChIKeyPNMVYDYOLSIBOA-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.83
Rot. Bonds2

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

2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 71625422) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID71625422
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccsc1C1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-13-11-12-23-17(13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3
InChIKeyPNMVYDYOLSIBOA-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 71625422) is 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is Cc1ccsc1C1Nc2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is PNMVYDYOLSIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-13-11-12-23-17(13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 320.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).