2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid

C25H22N2O4 — CID 155950289

IUPAC2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C25H22N2O4/c28-23(14-20-13-19-7-3-4-8-22(19)27-24(20)29)26-15-21(25(30)31)12-16-9-10-17-5-1-2-6-18(17)11-16/h1-11,13,21H,12,14-15H2,(H,26,28)(H,27,29)(H,30,31)
InChIKeyBBQDNIUQWYUXSB-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.28
Rot. Bonds7

About 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid

2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid (PubChem CID 155950289) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
PubChem CID155950289
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C25H22N2O4/c28-23(14-20-13-19-7-3-4-8-22(19)27-24(20)29)26-15-21(25(30)31)12-16-9-10-17-5-1-2-6-18(17)11-16/h1-11,13,21H,12,14-15H2,(H,26,28)(H,27,29)(H,30,31)
InChIKeyBBQDNIUQWYUXSB-UHFFFAOYSA-N
XLogP3.28
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51949830
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245465
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid (CID 155950289) is 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid is O=C(Cc1cc2ccccc2[nH]c1=O)NCC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is BBQDNIUQWYUXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-23(14-20-13-19-7-3-4-8-22(19)27-24(20)29)26-15-21(25(30)31)12-16-9-10-17-5-1-2-6-18(17)11-16/h1-11,13,21H,12,14-15H2,(H,26,28)(H,27,29)(H,30,31).
What are the key properties of 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid?
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 414.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 155950289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).