3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

C18H14N2OS — CID 611733

IUPAC3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccs2)N1c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-18-14-9-4-5-10-15(14)19-17(16-11-6-12-22-16)20(18)13-7-2-1-3-8-13/h1-12,17,19H
InChIKeyKCHBRRCLUGULSC-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.52
Rot. Bonds2

About 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 611733) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID611733
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccs2)N1c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-18-14-9-4-5-10-15(14)19-17(16-11-6-12-22-16)20(18)13-7-2-1-3-8-13/h1-12,17,19H
InChIKeyKCHBRRCLUGULSC-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (CID 611733) is 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccs2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is KCHBRRCLUGULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-18-14-9-4-5-10-15(14)19-17(16-11-6-12-22-16)20(18)13-7-2-1-3-8-13/h1-12,17,19H.
What are the key properties of 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 306.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 611733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).