3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide

C13H12N4OS — CID 10730896

IUPAC3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide
SMILESCc1c2ccccc2nc2sc(C(=O)NN)c(N)c12
InChIInChI=1S/C13H12N4OS/c1-6-7-4-2-3-5-8(7)16-13-9(6)10(14)11(19-13)12(18)17-15/h2-5H,14-15H2,1H3,(H,17,18)
InChIKeyIBXFYDZKVKZGFP-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.94
Rot. Bonds1

About 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide

3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide (PubChem CID 10730896) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide
PubChem CID10730896
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide
SMILESCc1c2ccccc2nc2sc(C(=O)NN)c(N)c12
InChIInChI=1S/C13H12N4OS/c1-6-7-4-2-3-5-8(7)16-13-9(6)10(14)11(19-13)12(18)17-15/h2-5H,14-15H2,1H3,(H,17,18)
InChIKeyIBXFYDZKVKZGFP-UHFFFAOYSA-N
XLogP1.94
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528
1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
CID 698121

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide?
The IUPAC name of 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide (CID 10730896) is 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide.
What is the SMILES notation for 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide?
The canonical SMILES for 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide is Cc1c2ccccc2nc2sc(C(=O)NN)c(N)c12.
What is the InChIKey of 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide?
The InChIKey is IBXFYDZKVKZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-6-7-4-2-3-5-8(7)16-13-9(6)10(14)11(19-13)12(18)17-15/h2-5H,14-15H2,1H3,(H,17,18).
What are the key properties of 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide?
3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide has a molecular weight of 272.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide is sourced from PubChem (CID 10730896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).