1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid

C16H14N2O2 — CID 81423377

IUPAC1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CCc1cccc2cccnc12
InChIInChI=1S/C16H14N2O2/c19-16(20)14-7-3-10-18(14)11-8-13-5-1-4-12-6-2-9-17-15(12)13/h1-7,9-10H,8,11H2,(H,19,20)
InChIKeyHRTLDBJQGPMXOL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid

1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid (PubChem CID 81423377) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
PubChem CID81423377
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CCc1cccc2cccnc12
InChIInChI=1S/C16H14N2O2/c19-16(20)14-7-3-10-18(14)11-8-13-5-1-4-12-6-2-9-17-15(12)13/h1-7,9-10H,8,11H2,(H,19,20)
InChIKeyHRTLDBJQGPMXOL-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

aluminum quinolin-8-ylmethanol
CID 23124809
1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
CID 81423387
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
quinolin-8-ylmethylphosphonic acid
CID 12629202
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
CID 81435951
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
6-quinolin-8-ylhexan-3-one
CID 132571149
(Z)-3-methyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258778
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid (CID 81423377) is 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1CCc1cccc2cccnc12.
What is the InChIKey of 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid?
The InChIKey is HRTLDBJQGPMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)14-7-3-10-18(14)11-8-13-5-1-4-12-6-2-9-17-15(12)13/h1-7,9-10H,8,11H2,(H,19,20).
What are the key properties of 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid?
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 81423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).