3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one

C19H14N2OS — CID 722908

IUPAC3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCc1cccc(-n2c(-c3cccs3)nc3ccccc3c2=O)c1
InChIInChI=1S/C19H14N2OS/c1-13-6-4-7-14(12-13)21-18(17-10-5-11-23-17)20-16-9-3-2-8-15(16)19(21)22/h2-12H,1H3
InChIKeyLNCNYQYDXDTKGQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.42
Rot. Bonds2

About 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one

3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one (PubChem CID 722908) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
PubChem CID722908
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCc1cccc(-n2c(-c3cccs3)nc3ccccc3c2=O)c1
InChIInChI=1S/C19H14N2OS/c1-13-6-4-7-14(12-13)21-18(17-10-5-11-23-17)20-16-9-3-2-8-15(16)19(21)22/h2-12H,1H3
InChIKeyLNCNYQYDXDTKGQ-UHFFFAOYSA-N
XLogP4.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 1116973
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 702514
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 46083877
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842417
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one (CID 722908) is 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one is Cc1cccc(-n2c(-c3cccs3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The InChIKey is LNCNYQYDXDTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-6-4-7-14(12-13)21-18(17-10-5-11-23-17)20-16-9-3-2-8-15(16)19(21)22/h2-12H,1H3.
What are the key properties of 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one has a molecular weight of 318.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 722908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).