7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile

C22H21N5 — CID 91953537

IUPAC7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile
SMILESCc1ccc2c(NCCCn3nc4ccccc4c3C)c(C#N)cnc2c1
InChIInChI=1S/C22H21N5/c1-15-8-9-19-21(12-15)25-14-17(13-23)22(19)24-10-5-11-27-16(2)18-6-3-4-7-20(18)26-27/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,24,25)
InChIKeyXYENNUOWEPZZRL-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.58
Rot. Bonds5

About 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile

7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile (PubChem CID 91953537) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile
PubChem CID91953537
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile
SMILESCc1ccc2c(NCCCn3nc4ccccc4c3C)c(C#N)cnc2c1
InChIInChI=1S/C22H21N5/c1-15-8-9-19-21(12-15)25-14-17(13-23)22(19)24-10-5-11-27-16(2)18-6-3-4-7-20(18)26-27/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,24,25)
InChIKeyXYENNUOWEPZZRL-UHFFFAOYSA-N
XLogP4.58
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]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-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
CID 103703002
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-(2-prop-2-enylsulfanylethylamino)quinoline-3-carbonitrile
CID 103702802
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
CID 61004801
4-[[(3-cyano-7-methylquinolin-4-yl)amino]methyl]-N-hydroxybenzamide
CID 167598715
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile?
The IUPAC name of 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile (CID 91953537) is 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile?
The canonical SMILES for 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile is Cc1ccc2c(NCCCn3nc4ccccc4c3C)c(C#N)cnc2c1.
What is the InChIKey of 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile?
The InChIKey is XYENNUOWEPZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-8-9-19-21(12-15)25-14-17(13-23)22(19)24-10-5-11-27-16(2)18-6-3-4-7-20(18)26-27/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,24,25).
What are the key properties of 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile?
7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile has a molecular weight of 355.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 91953537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).