1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine

C18H23N5 — CID 154682639

IUPAC1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESC=CNCCCCn1c(CC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5/c1-3-15-22-16-17(23(15)12-8-7-11-20-4-2)13-9-5-6-10-14(13)21-18(16)19/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H2,19,21)
InChIKeySVCFPSBPASLOFV-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine

1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine (PubChem CID 154682639) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
PubChem CID154682639
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESC=CNCCCCn1c(CC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5/c1-3-15-22-16-17(23(15)12-8-7-11-20-4-2)13-9-5-6-10-14(13)21-18(16)19/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H2,19,21)
InChIKeySVCFPSBPASLOFV-UHFFFAOYSA-N
XLogP3.24
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
CID 154682733
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
CID 162737247
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 162372952
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine (CID 154682639) is 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine is C=CNCCCCn1c(CC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is SVCFPSBPASLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-15-22-16-17(23(15)12-8-7-11-20-4-2)13-9-5-6-10-14(13)21-18(16)19/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H2,19,21).
What are the key properties of 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine?
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 154682639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).