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

C18H22N2O4 — CID 119166747

IUPAC1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C18H22N2O4/c21-16(19-10-7-14(8-11-19)18(23)24)9-12-20-15-4-2-1-3-13(15)5-6-17(20)22/h1-4,14H,5-12H2,(H,23,24)
InChIKeyGUOUWUZYGVDNPK-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.68
Rot. Bonds4

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

1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119166747) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119166747
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C18H22N2O4/c21-16(19-10-7-14(8-11-19)18(23)24)9-12-20-15-4-2-1-3-13(15)5-6-17(20)22/h1-4,14H,5-12H2,(H,23,24)
InChIKeyGUOUWUZYGVDNPK-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 119644540
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356737
(3S,4S)-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951332
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 120809045
1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 119033231
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
5-methyl-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118273
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 119166747) is 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is GUOUWUZYGVDNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(19-10-7-14(8-11-19)18(23)24)9-12-20-15-4-2-1-3-13(15)5-6-17(20)22/h1-4,14H,5-12H2,(H,23,24).
What are the key properties of 1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.68, 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]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).