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

C20H18N2OS — CID 71625532

IUPAC2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-2-15-12-13-18(24-15)19-21-17-11-7-6-10-16(17)20(23)22(19)14-8-4-3-5-9-14/h3-13,19,21H,2H2,1H3
InChIKeyFFHOZBSPIAPLQP-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.08
Rot. Bonds3

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

2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 71625532) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID71625532
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-2-15-12-13-18(24-15)19-21-17-11-7-6-10-16(17)20(23)22(19)14-8-4-3-5-9-14/h3-13,19,21H,2H2,1H3
InChIKeyFFHOZBSPIAPLQP-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 71625532) is 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is CCc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is FFHOZBSPIAPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-2-15-12-13-18(24-15)19-21-17-11-7-6-10-16(17)20(23)22(19)14-8-4-3-5-9-14/h3-13,19,21H,2H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 334.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).