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

C18H15N3OS — CID 71625882

IUPAC2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2ccncc2)s1
InChIInChI=1S/C18H15N3OS/c1-12-6-7-16(23-12)17-20-15-5-3-2-4-14(15)18(22)21(17)13-8-10-19-11-9-13/h2-11,17,20H,1H3
InChIKeyXIVOCERFFBQELX-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.22
Rot. Bonds2

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

2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 71625882) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID71625882
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2ccncc2)s1
InChIInChI=1S/C18H15N3OS/c1-12-6-7-16(23-12)17-20-15-5-3-2-4-14(15)18(22)21(17)13-8-10-19-11-9-13/h2-11,17,20H,1H3
InChIKeyXIVOCERFFBQELX-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 71625882) is 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one is Cc1ccc(C2Nc3ccccc3C(=O)N2c2ccncc2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is XIVOCERFFBQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-6-7-16(23-12)17-20-15-5-3-2-4-14(15)18(22)21(17)13-8-10-19-11-9-13/h2-11,17,20H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 321.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).