1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

C17H20N2O4 — CID 119356737

IUPAC1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C17H20N2O4/c20-15-8-7-12-4-1-2-5-13(12)19(15)11-9-16(21)18-10-3-6-14(18)17(22)23/h1-2,4-5,14H,3,6-11H2,(H,22,23)
InChIKeyBWUJVKRTXCTRSR-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.43
Rot. Bonds4

About 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356737) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119356737
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C17H20N2O4/c20-15-8-7-12-4-1-2-5-13(12)19(15)11-9-16(21)18-10-3-6-14(18)17(22)23/h1-2,4-5,14H,3,6-11H2,(H,22,23)
InChIKeyBWUJVKRTXCTRSR-UHFFFAOYSA-N
XLogP1.43
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166747
1-[4-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-3,4-dihydroquinolin-2-one
CID 167975329
(2R)-1-(3-phenothiazin-10-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 119371996
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
(2R)-1-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54494835
1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 119644540
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216911
(2S)-1-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366167
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 119356737) is 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BWUJVKRTXCTRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-8-7-12-4-1-2-5-13(12)19(15)11-9-16(21)18-10-3-6-14(18)17(22)23/h1-2,4-5,14H,3,6-11H2,(H,22,23).
What are the key properties of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).