1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

C21H20N2O4 — CID 120691182

IUPAC1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C21H20N2O4/c24-19(23-12-16(21(26)27)15-6-2-4-8-18(15)23)10-9-14-11-13-5-1-3-7-17(13)22-20(14)25/h1-8,14,16H,9-12H2,(H,22,25)(H,26,27)
InChIKeyNMLDIIQXPJPQHI-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.79
Rot. Bonds4

About 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691182) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691182
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C21H20N2O4/c24-19(23-12-16(21(26)27)15-6-2-4-8-18(15)23)10-9-14-11-13-5-1-3-7-17(13)22-20(14)25/h1-8,14,16H,9-12H2,(H,22,25)(H,26,27)
InChIKeyNMLDIIQXPJPQHI-UHFFFAOYSA-N
XLogP2.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid with MolForge

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Related Compounds

4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 31038718
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
(3S)-3-[3-[(2S)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 97306526
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691182) is 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is O=C1Nc2ccccc2CC1CCC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is NMLDIIQXPJPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(23-12-16(21(26)27)15-6-2-4-8-18(15)23)10-9-14-11-13-5-1-3-7-17(13)22-20(14)25/h1-8,14,16H,9-12H2,(H,22,25)(H,26,27).
What are the key properties of 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).