1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one

C14H14N2OS — CID 647507

IUPAC1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C14H14N2OS/c1-15-11-7-4-3-6-10(11)14(17)16(2)13(15)12-8-5-9-18-12/h3-9,13H,1-2H3
InChIKeyJFEOYIPIPPRBAX-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.97
Rot. Bonds1

About 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one

1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one (PubChem CID 647507) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one
PubChem CID647507
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C14H14N2OS/c1-15-11-7-4-3-6-10(11)14(17)16(2)13(15)12-8-5-9-18-12/h3-9,13H,1-2H3
InChIKeyJFEOYIPIPPRBAX-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one?
The IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one (CID 647507) is 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one?
The canonical SMILES for 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one is CN1C(=O)c2ccccc2N(C)C1c1cccs1.
What is the InChIKey of 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one?
The InChIKey is JFEOYIPIPPRBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-15-11-7-4-3-6-10(11)14(17)16(2)13(15)12-8-5-9-18-12/h3-9,13H,1-2H3.
What are the key properties of 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one?
1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one has a molecular weight of 258.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-thiophen-2-yl-2H-quinazolin-4-one is sourced from PubChem (CID 647507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).