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

C17H15N3 — CID 62188673

IUPAC4-(propylamino)benzo[h]quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c1ccc1ccccc12
InChIInChI=1S/C17H15N3/c1-2-9-19-16-13(10-18)11-20-17-14-6-4-3-5-12(14)7-8-15(16)17/h3-8,11H,2,9H2,1H3,(H,19,20)
InChIKeyYDVZHASMXKSXEY-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.08
Rot. Bonds3

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

4-(propylamino)benzo[h]quinoline-3-carbonitrile (PubChem CID 62188673) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(propylamino)benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(propylamino)benzo[h]quinoline-3-carbonitrile
PubChem CID62188673
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(propylamino)benzo[h]quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c1ccc1ccccc12
InChIInChI=1S/C17H15N3/c1-2-9-19-16-13(10-18)11-20-17-14-6-4-3-5-12(14)7-8-15(16)17/h3-8,11H,2,9H2,1H3,(H,19,20)
InChIKeyYDVZHASMXKSXEY-UHFFFAOYSA-N
XLogP4.08
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
4-(4-phenoxyanilino)benzo[h]quinoline-3-carbonitrile
CID 69372675
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
CID 62189546

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-(propylamino)benzo[h]quinoline-3-carbonitrile (CID 62188673) is 4-(propylamino)benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(propylamino)benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-(propylamino)benzo[h]quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2c1ccc1ccccc12.
What is the InChIKey of 4-(propylamino)benzo[h]quinoline-3-carbonitrile?
The InChIKey is YDVZHASMXKSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-9-19-16-13(10-18)11-20-17-14-6-4-3-5-12(14)7-8-15(16)17/h3-8,11H,2,9H2,1H3,(H,19,20).
What are the key properties of 4-(propylamino)benzo[h]quinoline-3-carbonitrile?
4-(propylamino)benzo[h]quinoline-3-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 62188673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).