3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid

C24H33N3O2 — CID 143494951

IUPAC3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid
SMILESCCCCCCCCn1c(CCC)nc2cnc3cc(CCC(=O)O)ccc3c21
InChIInChI=1S/C24H33N3O2/c1-3-5-6-7-8-9-15-27-22(10-4-2)26-21-17-25-20-16-18(12-14-23(28)29)11-13-19(20)24(21)27/h11,13,16-17H,3-10,12,14-15H2,1-2H3,(H,28,29)
InChIKeyLYGOJBLAMMGSTE-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.91
Rot. Bonds12

About 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid

3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid (PubChem CID 143494951) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid
PubChem CID143494951
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid
SMILESCCCCCCCCn1c(CCC)nc2cnc3cc(CCC(=O)O)ccc3c21
InChIInChI=1S/C24H33N3O2/c1-3-5-6-7-8-9-15-27-22(10-4-2)26-21-17-25-20-16-18(12-14-23(28)29)11-13-19(20)24(21)27/h11,13,16-17H,3-10,12,14-15H2,1-2H3,(H,28,29)
InChIKeyLYGOJBLAMMGSTE-UHFFFAOYSA-N
XLogP5.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.91
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

Miroprofen
CID 68752
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
CID 20887718
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-(2-fluorophenyl)propanoic acid
CID 10550633
3-(2,4-Difluorophenyl)-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]propanoic acid
CID 10575488
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid
CID 10618853
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylpentanoic acid
CID 10643455
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,2-dimethyl-3-phenylpropanoic acid
CID 10718009
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylpropanoic acid
CID 10740466
2-Benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylpropanoic acid
CID 10791611
3-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid
CID 11794897
8-(4-Carboxybutyl)imidazo[1,5-a]pyridine
CID 13206151
2-[[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethyl]butanoic acid
CID 19425794

Frequently Asked Questions

What is the IUPAC name of 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid?
The IUPAC name of 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid (CID 143494951) is 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid.
What is the SMILES notation for 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid?
The canonical SMILES for 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid is CCCCCCCCn1c(CCC)nc2cnc3cc(CCC(=O)O)ccc3c21.
What is the InChIKey of 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid?
The InChIKey is LYGOJBLAMMGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-5-6-7-8-9-15-27-22(10-4-2)26-21-17-25-20-16-18(12-14-23(28)29)11-13-19(20)24(21)27/h11,13,16-17H,3-10,12,14-15H2,1-2H3,(H,28,29).
What are the key properties of 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid?
3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid has a molecular weight of 395.55 g/mol, XLogP of 5.91, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid is sourced from PubChem (CID 143494951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).