ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate

C16H17N3O2 — CID 57447045

IUPACethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c(C)nc2cnc3ccccc3c21
InChIInChI=1S/C16H17N3O2/c1-3-21-15(20)8-9-19-11(2)18-14-10-17-13-7-5-4-6-12(13)16(14)19/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJCNBYQKHEOUMKQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds4

About ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate

ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate (PubChem CID 57447045) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
PubChem CID57447045
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Nameethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c(C)nc2cnc3ccccc3c21
InChIInChI=1S/C16H17N3O2/c1-3-21-15(20)8-9-19-11(2)18-14-10-17-13-7-5-4-6-12(13)16(14)19/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJCNBYQKHEOUMKQ-UHFFFAOYSA-N
XLogP2.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
CID 22254431
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
3-(2-methylimidazo[4,5-c]quinolin-1-yl)hexanamide
CID 91392290
[2,2-dimethyl-3-(2-methylimidazo[4,5-c]quinolin-1-yl)propyl] 4-methylbenzenesulfonate
CID 87650937
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate (CID 57447045) is ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate is CCOC(=O)CCn1c(C)nc2cnc3ccccc3c21.
What is the InChIKey of ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate?
The InChIKey is JCNBYQKHEOUMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-15(20)8-9-19-11(2)18-14-10-17-13-7-5-4-6-12(13)16(14)19/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate?
ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate has a molecular weight of 283.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate is sourced from PubChem (CID 57447045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).