2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid

C12H11N3O2S — CID 163287283

IUPAC2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
SMILESCNc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C12H11N3O2S/c1-13-12-14-5-6-2-3-8-7(10(6)15-12)4-9(18-8)11(16)17/h4-5H,2-3H2,1H3,(H,16,17)(H,13,14,15)
InChIKeySVDDSQJFNWFVQF-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.04
Rot. Bonds2

About 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid

2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid (PubChem CID 163287283) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
PubChem CID163287283
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
SMILESCNc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C12H11N3O2S/c1-13-12-14-5-6-2-3-8-7(10(6)15-12)4-9(18-8)11(16)17/h4-5H,2-3H2,1H3,(H,16,17)(H,13,14,15)
InChIKeySVDDSQJFNWFVQF-UHFFFAOYSA-N
XLogP2.04
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The IUPAC name of 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid (CID 163287283) is 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The canonical SMILES for 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid is CNc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2.
What is the InChIKey of 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The InChIKey is SVDDSQJFNWFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-13-12-14-5-6-2-3-8-7(10(6)15-12)4-9(18-8)11(16)17/h4-5H,2-3H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid has a molecular weight of 261.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid is sourced from PubChem (CID 163287283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).