2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid

C29H23N3O4 — CID 10116501

IUPAC2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1cccc2cccnc12
InChIInChI=1S/C29H23N3O4/c33-28(24-8-3-6-21-7-4-16-30-27(21)24)32-26(29(34)35)17-19-10-14-23(15-11-19)36-18-22-13-12-20-5-1-2-9-25(20)31-22/h1-16,26H,17-18H2,(H,32,33)(H,34,35)
InChIKeyYBCNEBVDKNXZAA-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.79
Rot. Bonds8

About 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid

2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (PubChem CID 10116501) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
PubChem CID10116501
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1cccc2cccnc12
InChIInChI=1S/C29H23N3O4/c33-28(24-8-3-6-21-7-4-16-30-27(21)24)32-26(29(34)35)17-19-10-14-23(15-11-19)36-18-22-13-12-20-5-1-2-9-25(20)31-22/h1-16,26H,17-18H2,(H,32,33)(H,34,35)
InChIKeyYBCNEBVDKNXZAA-UHFFFAOYSA-N
XLogP4.79
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10278753
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-2-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66913028
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide
CID 155519459
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
(2S)-2-[(2,6-dihydroxybenzoyl)amino]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]propanoic acid
CID 143591535
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54452131
(2S,3S)-2-hydroxy-3-phenyl-3-[4-(quinolin-2-ylmethoxy)anilino]propanoic acid
CID 22846378

Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (CID 10116501) is 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid is O=C(NC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O)c1cccc2cccnc12.
What is the InChIKey of 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The InChIKey is YBCNEBVDKNXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c33-28(24-8-3-6-21-7-4-16-30-27(21)24)32-26(29(34)35)17-19-10-14-23(15-11-19)36-18-22-13-12-20-5-1-2-9-25(20)31-22/h1-16,26H,17-18H2,(H,32,33)(H,34,35).
What are the key properties of 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid has a molecular weight of 477.52 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 10116501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).