4-(methylamino)quinoline-3-carbonitrile

C11H9N3 — CID 43668892

IUPAC4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C11H9N3/c1-13-11-8(6-12)7-14-10-5-3-2-4-9(10)11/h2-5,7H,1H3,(H,13,14)
InChIKeySTMVPWLKJATZJQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.15
Rot. Bonds1

About 4-(methylamino)quinoline-3-carbonitrile

4-(methylamino)quinoline-3-carbonitrile (PubChem CID 43668892) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(methylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)quinoline-3-carbonitrile
PubChem CID43668892
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C11H9N3/c1-13-11-8(6-12)7-14-10-5-3-2-4-9(10)11/h2-5,7H,1H3,(H,13,14)
InChIKeySTMVPWLKJATZJQ-UHFFFAOYSA-N
XLogP2.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methylamino)quinoline-3-carbonitrile 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

4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
CID 113485505
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
CID 43668936

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(methylamino)quinoline-3-carbonitrile (CID 43668892) is 4-(methylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(methylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(methylamino)quinoline-3-carbonitrile is CNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-(methylamino)quinoline-3-carbonitrile?
The InChIKey is STMVPWLKJATZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-13-11-8(6-12)7-14-10-5-3-2-4-9(10)11/h2-5,7H,1H3,(H,13,14).
What are the key properties of 4-(methylamino)quinoline-3-carbonitrile?
4-(methylamino)quinoline-3-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 43668892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).