1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid

C15H13N3O2 — CID 43668885

IUPAC1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1N1CCCC1C(=O)O
InChIInChI=1S/C15H13N3O2/c16-8-10-9-17-12-5-2-1-4-11(12)14(10)18-7-3-6-13(18)15(19)20/h1-2,4-5,9,13H,3,6-7H2,(H,19,20)
InChIKeySLLGAAGNLUZUPG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.16
Rot. Bonds2

About 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid

1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 43668885) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID43668885
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1N1CCCC1C(=O)O
InChIInChI=1S/C15H13N3O2/c16-8-10-9-17-12-5-2-1-4-11(12)14(10)18-7-3-6-13(18)15(19)20/h1-2,4-5,9,13H,3,6-7H2,(H,19,20)
InChIKeySLLGAAGNLUZUPG-UHFFFAOYSA-N
XLogP2.16
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
2-[1-(3-cyanoquinolin-4-yl)azetidin-3-yl]propanoic acid
CID 116681957
1-(2-cyano-6-methylphenyl)pyrrolidine-2-carboxylic acid
CID 107106014
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
CID 133319063
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid (CID 43668885) is 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid is N#Cc1cnc2ccccc2c1N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SLLGAAGNLUZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-10-9-17-12-5-2-1-4-11(12)14(10)18-7-3-6-13(18)15(19)20/h1-2,4-5,9,13H,3,6-7H2,(H,19,20).
What are the key properties of 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanoquinolin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).