1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid

C15H15N3O3 — CID 63885030

IUPAC1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cc(N2CCCC2C(=O)O)nc2ccccc12
InChIInChI=1S/C15H15N3O3/c16-14(19)10-8-13(17-11-5-2-1-4-9(10)11)18-7-3-6-12(18)15(20)21/h1-2,4-5,8,12H,3,6-7H2,(H2,16,19)(H,20,21)
InChIKeyIWJQEXRBUOADIR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.39
Rot. Bonds3

About 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid

1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 63885030) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID63885030
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cc(N2CCCC2C(=O)O)nc2ccccc12
InChIInChI=1S/C15H15N3O3/c16-14(19)10-8-13(17-11-5-2-1-4-9(10)11)18-7-3-6-12(18)15(20)21/h1-2,4-5,8,12H,3,6-7H2,(H2,16,19)(H,20,21)
InChIKeyIWJQEXRBUOADIR-UHFFFAOYSA-N
XLogP1.39
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 120965080
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
CID 64590146
2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
CID 63885913
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid (CID 63885030) is 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid is NC(=O)c1cc(N2CCCC2C(=O)O)nc2ccccc12.
What is the InChIKey of 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IWJQEXRBUOADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(19)10-8-13(17-11-5-2-1-4-9(10)11)18-7-3-6-12(18)15(20)21/h1-2,4-5,8,12H,3,6-7H2,(H2,16,19)(H,20,21).
What are the key properties of 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63885030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).