4-amino-1-methyl-4H-quinoline-3-carboxamide

C11H13N3O — CID 13249194

IUPAC4-amino-1-methyl-4H-quinoline-3-carboxamide
SMILESCN1C=C(C(N)=O)C(N)c2ccccc21
InChIInChI=1S/C11H13N3O/c1-14-6-8(11(13)15)10(12)7-4-2-3-5-9(7)14/h2-6,10H,12H2,1H3,(H2,13,15)
InChIKeyMJGSAXJZBPOQTO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.51
Rot. Bonds1

About 4-amino-1-methyl-4H-quinoline-3-carboxamide

4-amino-1-methyl-4H-quinoline-3-carboxamide (PubChem CID 13249194) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-1-methyl-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-4H-quinoline-3-carboxamide
PubChem CID13249194
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-amino-1-methyl-4H-quinoline-3-carboxamide
SMILESCN1C=C(C(N)=O)C(N)c2ccccc21
InChIInChI=1S/C11H13N3O/c1-14-6-8(11(13)15)10(12)7-4-2-3-5-9(7)14/h2-6,10H,12H2,1H3,(H2,13,15)
InChIKeyMJGSAXJZBPOQTO-UHFFFAOYSA-N
XLogP0.51
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-methyl-4H-quinoline-3-carboxamide 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 4-amino-1-methyl-4H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-4H-quinoline-3-carboxamide (CID 13249194) is 4-amino-1-methyl-4H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-4H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-4H-quinoline-3-carboxamide is CN1C=C(C(N)=O)C(N)c2ccccc21.
What is the InChIKey of 4-amino-1-methyl-4H-quinoline-3-carboxamide?
The InChIKey is MJGSAXJZBPOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-6-8(11(13)15)10(12)7-4-2-3-5-9(7)14/h2-6,10H,12H2,1H3,(H2,13,15).
What are the key properties of 4-amino-1-methyl-4H-quinoline-3-carboxamide?
4-amino-1-methyl-4H-quinoline-3-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-4H-quinoline-3-carboxamide is sourced from PubChem (CID 13249194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).