1-(quinolin-7-ylmethyl)indole-7-carboxylic acid

C19H14N2O2 — CID 58306698

IUPAC1-(quinolin-7-ylmethyl)indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc4cccnc4c3)c12
InChIInChI=1S/C19H14N2O2/c22-19(23)16-5-1-3-15-8-10-21(18(15)16)12-13-6-7-14-4-2-9-20-17(14)11-13/h1-11H,12H2,(H,22,23)
InChIKeyOWJYKTGAGRFTJO-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.94
Rot. Bonds3

About 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid

1-(quinolin-7-ylmethyl)indole-7-carboxylic acid (PubChem CID 58306698) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-7-ylmethyl)indole-7-carboxylic acid
PubChem CID58306698
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-(quinolin-7-ylmethyl)indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc4cccnc4c3)c12
InChIInChI=1S/C19H14N2O2/c22-19(23)16-5-1-3-15-8-10-21(18(15)16)12-13-6-7-14-4-2-9-20-17(14)11-13/h1-11H,12H2,(H,22,23)
InChIKeyOWJYKTGAGRFTJO-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
CID 58306802
2-quinolin-7-ylacetic acid
CID 18675903
4-[[[4-phenoxy-1-(quinolin-7-ylmethyl)indole-7-carbonyl]amino]methyl]benzoic acid
CID 176771784
4-[1-[[5-(3-methylsulfonylphenyl)-1-(quinolin-7-ylmethyl)indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176771638
1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
3-quinolin-7-ylpropanamide
CID 82578510
N-[[4-(3-hydroxyoxiran-2-yl)cyclohexyl]methyl]-1-(quinolin-7-ylmethyl)-5-(trifluoromethyl)indole-7-carboxamide
CID 143893739
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
imidazo[1,2-a]quinoline-9-carboxylic acid
CID 115027788
2-quinolin-7-ylacetaldehyde
CID 22630864
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid?
The IUPAC name of 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid (CID 58306698) is 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid?
The canonical SMILES for 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid is O=C(O)c1cccc2ccn(Cc3ccc4cccnc4c3)c12.
What is the InChIKey of 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid?
The InChIKey is OWJYKTGAGRFTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(23)16-5-1-3-15-8-10-21(18(15)16)12-13-6-7-14-4-2-9-20-17(14)11-13/h1-11H,12H2,(H,22,23).
What are the key properties of 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid?
1-(quinolin-7-ylmethyl)indole-7-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-7-ylmethyl)indole-7-carboxylic acid is sourced from PubChem (CID 58306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).