4-(ethylamino)benzo[h]quinoline-3-carbonitrile

C16H13N3 — CID 62188672

IUPAC4-(ethylamino)benzo[h]quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c1ccc1ccccc12
InChIInChI=1S/C16H13N3/c1-2-18-15-12(9-17)10-19-16-13-6-4-3-5-11(13)7-8-14(15)16/h3-8,10H,2H2,1H3,(H,18,19)
InChIKeyCDJSTCANHLXALB-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.69
Rot. Bonds2

About 4-(ethylamino)benzo[h]quinoline-3-carbonitrile

4-(ethylamino)benzo[h]quinoline-3-carbonitrile (PubChem CID 62188672) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(ethylamino)benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)benzo[h]quinoline-3-carbonitrile
PubChem CID62188672
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name4-(ethylamino)benzo[h]quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c1ccc1ccccc12
InChIInChI=1S/C16H13N3/c1-2-18-15-12(9-17)10-19-16-13-6-4-3-5-11(13)7-8-14(15)16/h3-8,10H,2H2,1H3,(H,18,19)
InChIKeyCDJSTCANHLXALB-UHFFFAOYSA-N
XLogP3.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(ethylamino)benzo[h]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

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-(ethylamino)benzo[h]quinoline-3-carbonitrile (CID 62188672) is 4-(ethylamino)benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(ethylamino)benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-(ethylamino)benzo[h]quinoline-3-carbonitrile is CCNc1c(C#N)cnc2c1ccc1ccccc12.
What is the InChIKey of 4-(ethylamino)benzo[h]quinoline-3-carbonitrile?
The InChIKey is CDJSTCANHLXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-18-15-12(9-17)10-19-16-13-6-4-3-5-11(13)7-8-14(15)16/h3-8,10H,2H2,1H3,(H,18,19).
What are the key properties of 4-(ethylamino)benzo[h]quinoline-3-carbonitrile?
4-(ethylamino)benzo[h]quinoline-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 62188672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).