8-N-(2-phenylpropyl)quinoline-5,8-diamine

C18H19N3 — CID 104591216

IUPAC8-N-(2-phenylpropyl)quinoline-5,8-diamine
SMILESCC(CNc1ccc(N)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H19N3/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,13,21H,12,19H2,1H3
InChIKeyGVVGJBYTXRBPAW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.03
Rot. Bonds4

About 8-N-(2-phenylpropyl)quinoline-5,8-diamine

8-N-(2-phenylpropyl)quinoline-5,8-diamine (PubChem CID 104591216) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-N-(2-phenylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-phenylpropyl)quinoline-5,8-diamine
PubChem CID104591216
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-N-(2-phenylpropyl)quinoline-5,8-diamine
SMILESCC(CNc1ccc(N)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H19N3/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,13,21H,12,19H2,1H3
InChIKeyGVVGJBYTXRBPAW-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-phenylpropyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-phenylpropyl)quinoline-5,8-diamine (CID 104591216) is 8-N-(2-phenylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-phenylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-phenylpropyl)quinoline-5,8-diamine is CC(CNc1ccc(N)c2cccnc12)c1ccccc1.
What is the InChIKey of 8-N-(2-phenylpropyl)quinoline-5,8-diamine?
The InChIKey is GVVGJBYTXRBPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,13,21H,12,19H2,1H3.
What are the key properties of 8-N-(2-phenylpropyl)quinoline-5,8-diamine?
8-N-(2-phenylpropyl)quinoline-5,8-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-phenylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 104591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).