6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine

C21H30N2O — CID 169487871

IUPAC6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine
SMILESC=CCN(CCCCCC)c1cc(C)nc2ccc(OCC)cc12
InChIInChI=1S/C21H30N2O/c1-5-8-9-10-14-23(13-6-2)21-15-17(4)22-20-12-11-18(24-7-3)16-19(20)21/h6,11-12,15-16H,2,5,7-10,13-14H2,1,3-4H3
InChIKeyDUPCSXGVXNMEHE-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.51
Rot. Bonds10

About 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine

6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine (PubChem CID 169487871) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine
PubChem CID169487871
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine
SMILESC=CCN(CCCCCC)c1cc(C)nc2ccc(OCC)cc12
InChIInChI=1S/C21H30N2O/c1-5-8-9-10-14-23(13-6-2)21-15-17(4)22-20-12-11-18(24-7-3)16-19(20)21/h6,11-12,15-16H,2,5,7-10,13-14H2,1,3-4H3
InChIKeyDUPCSXGVXNMEHE-UHFFFAOYSA-N
XLogP5.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-ethyl-7-methoxy-2-methylquinolin-4-amine
CID 110434237
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
2-methyl-6-propoxyquinolin-4-amine
CID 62329208
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
CID 163277411
3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133368217
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine?
The IUPAC name of 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine (CID 169487871) is 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine.
What is the SMILES notation for 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine?
The canonical SMILES for 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine is C=CCN(CCCCCC)c1cc(C)nc2ccc(OCC)cc12.
What is the InChIKey of 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine?
The InChIKey is DUPCSXGVXNMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-8-9-10-14-23(13-6-2)21-15-17(4)22-20-12-11-18(24-7-3)16-19(20)21/h6,11-12,15-16H,2,5,7-10,13-14H2,1,3-4H3.
What are the key properties of 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine?
6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine has a molecular weight of 326.48 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-hexyl-2-methyl-N-prop-2-enylquinolin-4-amine is sourced from PubChem (CID 169487871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).