6-N-(1-phenylpropyl)quinoline-5,6-diamine

C18H19N3 — CID 62305552

IUPAC6-N-(1-phenylpropyl)quinoline-5,6-diamine
SMILESCCC(Nc1ccc2ncccc2c1N)c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-15(13-7-4-3-5-8-13)21-17-11-10-16-14(18(17)19)9-6-12-20-16/h3-12,15,21H,2,19H2,1H3
InChIKeyWVUMPVFRJLTEDK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.38
Rot. Bonds4

About 6-N-(1-phenylpropyl)quinoline-5,6-diamine

6-N-(1-phenylpropyl)quinoline-5,6-diamine (PubChem CID 62305552) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-N-(1-phenylpropyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(1-phenylpropyl)quinoline-5,6-diamine
PubChem CID62305552
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-N-(1-phenylpropyl)quinoline-5,6-diamine
SMILESCCC(Nc1ccc2ncccc2c1N)c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-15(13-7-4-3-5-8-13)21-17-11-10-16-14(18(17)19)9-6-12-20-16/h3-12,15,21H,2,19H2,1H3
InChIKeyWVUMPVFRJLTEDK-UHFFFAOYSA-N
XLogP4.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-phenylpropyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(1-phenylpropyl)quinoline-5,6-diamine (CID 62305552) is 6-N-(1-phenylpropyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(1-phenylpropyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(1-phenylpropyl)quinoline-5,6-diamine is CCC(Nc1ccc2ncccc2c1N)c1ccccc1.
What is the InChIKey of 6-N-(1-phenylpropyl)quinoline-5,6-diamine?
The InChIKey is WVUMPVFRJLTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-15(13-7-4-3-5-8-13)21-17-11-10-16-14(18(17)19)9-6-12-20-16/h3-12,15,21H,2,19H2,1H3.
What are the key properties of 6-N-(1-phenylpropyl)quinoline-5,6-diamine?
6-N-(1-phenylpropyl)quinoline-5,6-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-phenylpropyl)quinoline-5,6-diamine is sourced from PubChem (CID 62305552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).