2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one

C14H13N3OS — CID 3244368

IUPAC2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1NCc1cccs1
InChIInChI=1S/C14H13N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3
InChIKeyVCHCSHACXOALLJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one

2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one (PubChem CID 3244368) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one
PubChem CID3244368
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1NCc1cccs1
InChIInChI=1S/C14H13N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3
InChIKeyVCHCSHACXOALLJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one (CID 3244368) is 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1NCc1cccs1.
What is the InChIKey of 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one?
The InChIKey is VCHCSHACXOALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3.
What are the key properties of 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one?
2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one has a molecular weight of 271.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-2-ylmethylamino)quinazolin-4-one is sourced from PubChem (CID 3244368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).