4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid

C22H24N2O4 — CID 154869426

IUPAC4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H24N2O4/c25-20(13-16-14-21(26)24-19-9-5-4-8-18(16)19)23-17(10-11-22(27)28)12-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyMJABHVUQTSQVPU-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.09
Rot. Bonds8

About 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid

4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 154869426) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid
PubChem CID154869426
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H24N2O4/c25-20(13-16-14-21(26)24-19-9-5-4-8-18(16)19)23-17(10-11-22(27)28)12-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyMJABHVUQTSQVPU-UHFFFAOYSA-N
XLogP3.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 166256696
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
CID 120547282
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid (CID 154869426) is 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CC1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is MJABHVUQTSQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(13-16-14-21(26)24-19-9-5-4-8-18(16)19)23-17(10-11-22(27)28)12-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid?
4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 154869426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).