2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid

C32H26N2O4 — CID 10278753

IUPAC2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O4/c35-31(26-14-12-24(13-15-26)23-6-2-1-3-7-23)34-30(32(36)37)20-22-10-18-28(19-11-22)38-21-27-17-16-25-8-4-5-9-29(25)33-27/h1-19,30H,20-21H2,(H,34,35)(H,36,37)
InChIKeyYTOUNELWKWHMHJ-UHFFFAOYSA-N
MW502.57 g/mol
LogP5.91
Rot. Bonds9

About 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid

2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (PubChem CID 10278753) has the molecular formula C32H26N2O4 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
PubChem CID10278753
Molecular FormulaC32H26N2O4
Molecular Weight502.57 g/mol
Exact Mass502.19
IUPAC Name2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O4/c35-31(26-14-12-24(13-15-26)23-6-2-1-3-7-23)34-30(32(36)37)20-22-10-18-28(19-11-22)38-21-27-17-16-25-8-4-5-9-29(25)33-27/h1-19,30H,20-21H2,(H,34,35)(H,36,37)
InChIKeyYTOUNELWKWHMHJ-UHFFFAOYSA-N
XLogP5.91
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10116501
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-2-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66913028
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
(2S)-2-[[4-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912654
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (CID 10278753) is 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid is O=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The InChIKey is YTOUNELWKWHMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4/c35-31(26-14-12-24(13-15-26)23-6-2-1-3-7-23)34-30(32(36)37)20-22-10-18-28(19-11-22)38-21-27-17-16-25-8-4-5-9-29(25)33-27/h1-19,30H,20-21H2,(H,34,35)(H,36,37).
What are the key properties of 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid has a molecular weight of 502.57 g/mol, XLogP of 5.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 10278753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).