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

C23H17N3OS — CID 71625651

IUPAC3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccccn3)s2)N1c1ccccc1
InChIInChI=1S/C23H17N3OS/c27-23-17-10-4-5-11-18(17)25-22(26(23)16-8-2-1-3-9-16)21-14-13-20(28-21)19-12-6-7-15-24-19/h1-15,22,25H
InChIKeyXCTLTNXJYSIJML-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.58
Rot. Bonds3

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

3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 71625651) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID71625651
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccccn3)s2)N1c1ccccc1
InChIInChI=1S/C23H17N3OS/c27-23-17-10-4-5-11-18(17)25-22(26(23)16-8-2-1-3-9-16)21-14-13-20(28-21)19-12-6-7-15-24-19/h1-15,22,25H
InChIKeyXCTLTNXJYSIJML-UHFFFAOYSA-N
XLogP5.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 71625651) is 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(-c3ccccn3)s2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XCTLTNXJYSIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c27-23-17-10-4-5-11-18(17)25-22(26(23)16-8-2-1-3-9-16)21-14-13-20(28-21)19-12-6-7-15-24-19/h1-15,22,25H.
What are the key properties of 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 383.48 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).