2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid

C23H22N2O3 — CID 67279206

IUPAC2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid
SMILESCC(C)(Cc1cc2cc(OCc3ccc4ccccc4n3)ccc2[nH]1)C(=O)O
InChIInChI=1S/C23H22N2O3/c1-23(2,22(26)27)13-18-11-16-12-19(9-10-21(16)25-18)28-14-17-8-7-15-5-3-4-6-20(15)24-17/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyITISFBFNXLHWTR-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.95
Rot. Bonds6

About 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid

2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid (PubChem CID 67279206) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid
PubChem CID67279206
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid
SMILESCC(C)(Cc1cc2cc(OCc3ccc4ccccc4n3)ccc2[nH]1)C(=O)O
InChIInChI=1S/C23H22N2O3/c1-23(2,22(26)27)13-18-11-16-12-19(9-10-21(16)25-18)28-14-17-8-7-15-5-3-4-6-20(15)24-17/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyITISFBFNXLHWTR-UHFFFAOYSA-N
XLogP4.95
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid with MolForge

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Related Compounds

3-[3-tert-butylsulfanyl-1-methyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
CID 142259648
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
3-[3-tert-butyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
CID 18947537
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
S-ethyl 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioate
CID 19069071
3-[1-[[4-(4-cyanophenyl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]-2,2-dimethylpropanoic acid
CID 90415668
3-[1-[(4-chlorophenyl)methyl]-3-propoxy-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
CID 68781456
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
CID 10435196

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid (CID 67279206) is 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid is CC(C)(Cc1cc2cc(OCc3ccc4ccccc4n3)ccc2[nH]1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid?
The InChIKey is ITISFBFNXLHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-23(2,22(26)27)13-18-11-16-12-19(9-10-21(16)25-18)28-14-17-8-7-15-5-3-4-6-20(15)24-17/h3-12,25H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid?
2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid is sourced from PubChem (CID 67279206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).