2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

C19H16N2OS2 — CID 71625535

IUPAC2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H16N2OS2/c1-23-17-12-11-16(24-17)18-20-15-10-6-5-9-14(15)19(22)21(18)13-7-3-2-4-8-13/h2-12,18,20H,1H3
InChIKeyRFAFMBXMQPXCBY-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.24
Rot. Bonds3

About 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 71625535) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID71625535
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Name2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H16N2OS2/c1-23-17-12-11-16(24-17)18-20-15-10-6-5-9-14(15)19(22)21(18)13-7-3-2-4-8-13/h2-12,18,20H,1H3
InChIKeyRFAFMBXMQPXCBY-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 71625535) is 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is CSc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1.
What is the InChIKey of 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is RFAFMBXMQPXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c1-23-17-12-11-16(24-17)18-20-15-10-6-5-9-14(15)19(22)21(18)13-7-3-2-4-8-13/h2-12,18,20H,1H3.
What are the key properties of 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 352.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).