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

C19H14N2OS — CID 828268

IUPAC3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
InChIKeyAAASRNHSMGFXGC-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.42
Rot. Bonds2

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

3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one (PubChem CID 828268) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
PubChem CID828268
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
InChIKeyAAASRNHSMGFXGC-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one (CID 828268) is 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one is Cc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
The InChIKey is AAASRNHSMGFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3.
What are the key properties of 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one?
3-(4-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-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 828268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).