2-(8-hexoxyoctyl)quinolin-3-amine

C23H36N2O — CID 175093877

IUPAC2-(8-hexoxyoctyl)quinolin-3-amine
SMILESCCCCCCOCCCCCCCCc1nc2ccccc2cc1N
InChIInChI=1S/C23H36N2O/c1-2-3-4-12-17-26-18-13-8-6-5-7-9-16-23-21(24)19-20-14-10-11-15-22(20)25-23/h10-11,14-15,19H,2-9,12-13,16-18,24H2,1H3
InChIKeyVDDVJLQVTRQRNG-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.30
Rot. Bonds14

About 2-(8-hexoxyoctyl)quinolin-3-amine

2-(8-hexoxyoctyl)quinolin-3-amine (PubChem CID 175093877) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-(8-hexoxyoctyl)quinolin-3-amine.

Molecular Properties

Compound Name2-(8-hexoxyoctyl)quinolin-3-amine
PubChem CID175093877
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name2-(8-hexoxyoctyl)quinolin-3-amine
SMILESCCCCCCOCCCCCCCCc1nc2ccccc2cc1N
InChIInChI=1S/C23H36N2O/c1-2-3-4-12-17-26-18-13-8-6-5-7-9-16-23-21(24)19-20-14-10-11-15-22(20)25-23/h10-11,14-15,19H,2-9,12-13,16-18,24H2,1H3
InChIKeyVDDVJLQVTRQRNG-UHFFFAOYSA-N
XLogP6.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(heptoxymethyl)quinolin-2-amine
CID 62194119
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
3-octylquinolin-2-amine
CID 23131231
acridine;heptane
CID 158562494
3-(hexoxymethyl)-N-methylquinolin-2-amine
CID 62193412
2-butyl-3-methylquinoline
CID 519104
2-(dodecoxymethyl)quinoline
CID 14754989
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
3-hexoxyacridine
CID 141299786
3-hexylacridine
CID 21394642
1-decoxyacridine
CID 159660851

Frequently Asked Questions

What is the IUPAC name of 2-(8-hexoxyoctyl)quinolin-3-amine?
The IUPAC name of 2-(8-hexoxyoctyl)quinolin-3-amine (CID 175093877) is 2-(8-hexoxyoctyl)quinolin-3-amine.
What is the SMILES notation for 2-(8-hexoxyoctyl)quinolin-3-amine?
The canonical SMILES for 2-(8-hexoxyoctyl)quinolin-3-amine is CCCCCCOCCCCCCCCc1nc2ccccc2cc1N.
What is the InChIKey of 2-(8-hexoxyoctyl)quinolin-3-amine?
The InChIKey is VDDVJLQVTRQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-2-3-4-12-17-26-18-13-8-6-5-7-9-16-23-21(24)19-20-14-10-11-15-22(20)25-23/h10-11,14-15,19H,2-9,12-13,16-18,24H2,1H3.
What are the key properties of 2-(8-hexoxyoctyl)quinolin-3-amine?
2-(8-hexoxyoctyl)quinolin-3-amine has a molecular weight of 356.55 g/mol, XLogP of 6.30, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hexoxyoctyl)quinolin-3-amine is sourced from PubChem (CID 175093877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).