3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid

C21H22N2O4 — CID 119252572

IUPAC3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O4/c24-19(22-17-9-5-15(6-10-17)7-12-21(26)27)13-14-23-18-4-2-1-3-16(18)8-11-20(23)25/h1-6,9-10H,7-8,11-14H2,(H,22,24)(H,26,27)
InChIKeyNDCHUPOYNHLQJL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.01
Rot. Bonds7

About 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid

3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid (PubChem CID 119252572) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
PubChem CID119252572
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O4/c24-19(22-17-9-5-15(6-10-17)7-12-21(26)27)13-14-23-18-4-2-1-3-16(18)8-11-20(23)25/h1-6,9-10H,7-8,11-14H2,(H,22,24)(H,26,27)
InChIKeyNDCHUPOYNHLQJL-UHFFFAOYSA-N
XLogP3.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid with MolForge

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Related Compounds

6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid (CID 119252572) is 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1.
What is the InChIKey of 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid?
The InChIKey is NDCHUPOYNHLQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(22-17-9-5-15(6-10-17)7-12-21(26)27)13-14-23-18-4-2-1-3-16(18)8-11-20(23)25/h1-6,9-10H,7-8,11-14H2,(H,22,24)(H,26,27).
What are the key properties of 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid?
3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid has a molecular weight of 366.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid is sourced from PubChem (CID 119252572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).