1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one

C24H19N3OS — CID 71625187

IUPAC1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H19N3OS/c1-26-20-13-6-5-11-18(20)24(28)27(17-9-3-2-4-10-17)23(26)22-15-14-21(29-22)19-12-7-8-16-25-19/h2-16,23H,1H3
InChIKeyLGPDXMYKNMWZJG-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.61
Rot. Bonds3

About 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one

1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one (PubChem CID 71625187) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one
PubChem CID71625187
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H19N3OS/c1-26-20-13-6-5-11-18(20)24(28)27(17-9-3-2-4-10-17)23(26)22-15-14-21(29-22)19-12-7-8-16-25-19/h2-16,23H,1H3
InChIKeyLGPDXMYKNMWZJG-UHFFFAOYSA-N
XLogP5.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one?
The IUPAC name of 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one (CID 71625187) is 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one.
What is the SMILES notation for 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one?
The canonical SMILES for 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one is CN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccn2)s1.
What is the InChIKey of 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one?
The InChIKey is LGPDXMYKNMWZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-26-20-13-6-5-11-18(20)24(28)27(17-9-3-2-4-10-17)23(26)22-15-14-21(29-22)19-12-7-8-16-25-19/h2-16,23H,1H3.
What are the key properties of 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one?
1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one has a molecular weight of 397.50 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-2H-quinazolin-4-one is sourced from PubChem (CID 71625187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).