methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate

C16H17N3O2 — CID 67836238

IUPACmethyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C16H17N3O2/c1-21-15(20)9-5-4-8-14-18-13-10-17-12-7-3-2-6-11(12)16(13)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19)
InChIKeySZYZLDGPYQZPLO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds5

About methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate

methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate (PubChem CID 67836238) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate
PubChem CID67836238
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Namemethyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C16H17N3O2/c1-21-15(20)9-5-4-8-14-18-13-10-17-12-7-3-2-6-11(12)16(13)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19)
InChIKeySZYZLDGPYQZPLO-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
CID 69335263
2-(3-chloropropyl)-3H-imidazo[4,5-c]quinoline;ethane;methoxymethylbenzene
CID 91147719
methyl 6-isoquinolin-1-ylhexanoate
CID 18979293
methyl 7-(7-fluoro-4-oxo-3H-quinazolin-2-yl)heptanoate
CID 169087846
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate
CID 70024749
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
CID 163399793
methyl 4-(1H-benzimidazol-2-ylmethylsulfamoyl)butanoate
CID 78991617

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate?
The IUPAC name of methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate (CID 67836238) is methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate?
The canonical SMILES for methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate is COC(=O)CCCCc1nc2c(cnc3ccccc32)[nH]1.
What is the InChIKey of methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate?
The InChIKey is SZYZLDGPYQZPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15(20)9-5-4-8-14-18-13-10-17-12-7-3-2-6-11(12)16(13)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate?
methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate has a molecular weight of 283.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate is sourced from PubChem (CID 67836238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).