ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate

C21H27N3O2 — CID 57447018

IUPACethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
SMILESCCCc1nc2cnc3ccccc3c2n1CCCCCC(=O)OCC
InChIInChI=1S/C21H27N3O2/c1-3-10-19-23-18-15-22-17-12-8-7-11-16(17)21(18)24(19)14-9-5-6-13-20(25)26-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyNHCSBPYGKANPFL-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.66
Rot. Bonds9

About ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate

ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate (PubChem CID 57447018) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
PubChem CID57447018
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
SMILESCCCc1nc2cnc3ccccc3c2n1CCCCCC(=O)OCC
InChIInChI=1S/C21H27N3O2/c1-3-10-19-23-18-15-22-17-12-8-7-11-16(17)21(18)24(19)14-9-5-6-13-20(25)26-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyNHCSBPYGKANPFL-UHFFFAOYSA-N
XLogP4.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
CID 57447045
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate
CID 68931154
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
tert-butyl [2,2-dimethylpropanoyl-[4-(2-propylimidazo[4,5-c]quinolin-1-yl)butyl]amino] carbonate
CID 86612262
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
CID 164835966

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate (CID 57447018) is ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate is CCCc1nc2cnc3ccccc3c2n1CCCCCC(=O)OCC.
What is the InChIKey of ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate?
The InChIKey is NHCSBPYGKANPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-10-19-23-18-15-22-17-12-8-7-11-16(17)21(18)24(19)14-9-5-6-13-20(25)26-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate?
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate has a molecular weight of 353.47 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate is sourced from PubChem (CID 57447018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).