1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid

C15H16N2O2 — CID 63031197

IUPAC1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-6-8-17(10-13)9-12-4-1-3-11-5-2-7-16-14(11)12/h1-5,7,13H,6,8-10H2,(H,18,19)
InChIKeySTVGREGTCGUTHM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.14
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid

1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031197) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID63031197
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-6-8-17(10-13)9-12-4-1-3-11-5-2-7-16-14(11)12/h1-5,7,13H,6,8-10H2,(H,18,19)
InChIKeySTVGREGTCGUTHM-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 25455158
(3S)-1-(isoquinolin-5-ylmethyl)piperidine-3-carboxylic acid
CID 125437616

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid (CID 63031197) is 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2cccc3cccnc23)C1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is STVGREGTCGUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)13-6-8-17(10-13)9-12-4-1-3-11-5-2-7-16-14(11)12/h1-5,7,13H,6,8-10H2,(H,18,19).
What are the key properties of 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid?
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).