8-methyl-4-(propylamino)quinoline-3-carbonitrile

C14H15N3 — CID 62190067

IUPAC8-methyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(C)cccc12
InChIInChI=1S/C14H15N3/c1-3-7-16-14-11(8-15)9-17-13-10(2)5-4-6-12(13)14/h4-6,9H,3,7H2,1-2H3,(H,16,17)
InChIKeyINVRDPUQDZIOOD-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.24
Rot. Bonds3

About 8-methyl-4-(propylamino)quinoline-3-carbonitrile

8-methyl-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 62190067) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 8-methyl-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-4-(propylamino)quinoline-3-carbonitrile
PubChem CID62190067
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name8-methyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(C)cccc12
InChIInChI=1S/C14H15N3/c1-3-7-16-14-11(8-15)9-17-13-10(2)5-4-6-12(13)14/h4-6,9H,3,7H2,1-2H3,(H,16,17)
InChIKeyINVRDPUQDZIOOD-UHFFFAOYSA-N
XLogP3.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-4-(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

7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
CID 133317629
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
CID 62189546
8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile
CID 22238973

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-methyl-4-(propylamino)quinoline-3-carbonitrile (CID 62190067) is 8-methyl-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2c(C)cccc12.
What is the InChIKey of 8-methyl-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is INVRDPUQDZIOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-7-16-14-11(8-15)9-17-13-10(2)5-4-6-12(13)14/h4-6,9H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 8-methyl-4-(propylamino)quinoline-3-carbonitrile?
8-methyl-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62190067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).