4-(8-ethoxyquinolin-5-yl)butan-1-amine

C15H20N2O — CID 117362958

IUPAC4-(8-ethoxyquinolin-5-yl)butan-1-amine
SMILESCCOc1ccc(CCCCN)c2cccnc12
InChIInChI=1S/C15H20N2O/c1-2-18-14-9-8-12(6-3-4-10-16)13-7-5-11-17-15(13)14/h5,7-9,11H,2-4,6,10,16H2,1H3
InChIKeyQCGDNLDRLRAYEJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.91
Rot. Bonds6

About 4-(8-ethoxyquinolin-5-yl)butan-1-amine

4-(8-ethoxyquinolin-5-yl)butan-1-amine (PubChem CID 117362958) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(8-ethoxyquinolin-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(8-ethoxyquinolin-5-yl)butan-1-amine
PubChem CID117362958
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(8-ethoxyquinolin-5-yl)butan-1-amine
SMILESCCOc1ccc(CCCCN)c2cccnc12
InChIInChI=1S/C15H20N2O/c1-2-18-14-9-8-12(6-3-4-10-16)13-7-5-11-17-15(13)14/h5,7-9,11H,2-4,6,10,16H2,1H3
InChIKeyQCGDNLDRLRAYEJ-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.91
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-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
5-bromo-8-ethoxyquinoline
CID 100612531
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
1-(8-ethoxyquinolin-5-yl)ethanol
CID 82264789
4-[2-(8-ethoxyquinolin-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3899976
5-undecylquinolin-8-ol
CID 10780517
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethoxyquinolin-5-yl)butan-1-amine?
The IUPAC name of 4-(8-ethoxyquinolin-5-yl)butan-1-amine (CID 117362958) is 4-(8-ethoxyquinolin-5-yl)butan-1-amine.
What is the SMILES notation for 4-(8-ethoxyquinolin-5-yl)butan-1-amine?
The canonical SMILES for 4-(8-ethoxyquinolin-5-yl)butan-1-amine is CCOc1ccc(CCCCN)c2cccnc12.
What is the InChIKey of 4-(8-ethoxyquinolin-5-yl)butan-1-amine?
The InChIKey is QCGDNLDRLRAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-18-14-9-8-12(6-3-4-10-16)13-7-5-11-17-15(13)14/h5,7-9,11H,2-4,6,10,16H2,1H3.
What are the key properties of 4-(8-ethoxyquinolin-5-yl)butan-1-amine?
4-(8-ethoxyquinolin-5-yl)butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethoxyquinolin-5-yl)butan-1-amine is sourced from PubChem (CID 117362958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).