2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine

C23H36N2O2 — CID 90318958

IUPAC2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
SMILESCCCCCCOCCCOCCCCCc1cc(N)c2ccccc2n1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-9-15-26-17-11-18-27-16-10-5-6-12-20-19-22(24)21-13-7-8-14-23(21)25-20/h7-8,13-14,19H,2-6,9-12,15-18H2,1H3,(H2,24,25)
InChIKeyXHFBTQJEBNWXCE-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.53
Rot. Bonds15

About 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine

2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine (PubChem CID 90318958) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
PubChem CID90318958
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
SMILESCCCCCCOCCCOCCCCCc1cc(N)c2ccccc2n1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-9-15-26-17-11-18-27-16-10-5-6-12-20-19-22(24)21-13-7-8-14-23(21)25-20/h7-8,13-14,19H,2-6,9-12,15-18H2,1H3,(H2,24,25)
InChIKeyXHFBTQJEBNWXCE-UHFFFAOYSA-N
XLogP5.53
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine?
The IUPAC name of 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine (CID 90318958) is 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine.
What is the SMILES notation for 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine?
The canonical SMILES for 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine is CCCCCCOCCCOCCCCCc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine?
The InChIKey is XHFBTQJEBNWXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-2-3-4-9-15-26-17-11-18-27-16-10-5-6-12-20-19-22(24)21-13-7-8-14-23(21)25-20/h7-8,13-14,19H,2-6,9-12,15-18H2,1H3,(H2,24,25).
What are the key properties of 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine?
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine has a molecular weight of 372.55 g/mol, XLogP of 5.53, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine is sourced from PubChem (CID 90318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).