3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid

C21H19N3O4 — CID 119201550

IUPAC3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESO=C1CCc2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)ccc2N1
InChIInChI=1S/C21H19N3O4/c25-19-8-6-12-9-13(5-7-16(12)23-19)20(26)24-18(21(27)28)10-14-11-22-17-4-2-1-3-15(14)17/h1-5,7,9,11,18,22H,6,8,10H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyZQNMAMRXZDAGIC-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.48
Rot. Bonds5

About 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid

3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (PubChem CID 119201550) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
PubChem CID119201550
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESO=C1CCc2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)ccc2N1
InChIInChI=1S/C21H19N3O4/c25-19-8-6-12-9-13(5-7-16(12)23-19)20(26)24-18(21(27)28)10-14-11-22-17-4-2-1-3-15(14)17/h1-5,7,9,11,18,22H,6,8,10H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyZQNMAMRXZDAGIC-UHFFFAOYSA-N
XLogP2.48
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

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methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
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methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
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3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (CID 119201550) is 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is O=C1CCc2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)ccc2N1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The InChIKey is ZQNMAMRXZDAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19-8-6-12-9-13(5-7-16(12)23-19)20(26)24-18(21(27)28)10-14-11-22-17-4-2-1-3-15(14)17/h1-5,7,9,11,18,22H,6,8,10H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid has a molecular weight of 377.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119201550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).