2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid

C20H18N2O6 — CID 69329298

IUPAC2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1Oc1ccc2c(O)c(C(=O)NC(C)C(=O)O)ncc2c1
InChIInChI=1S/C20H18N2O6/c1-11(20(25)26)22-19(24)17-18(23)14-8-7-13(9-12(14)10-21-17)28-16-6-4-3-5-15(16)27-2/h3-11,23H,1-2H3,(H,22,24)(H,25,26)
InChIKeyRAMRZOOLHPQLLT-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid

2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid (PubChem CID 69329298) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid
PubChem CID69329298
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1Oc1ccc2c(O)c(C(=O)NC(C)C(=O)O)ncc2c1
InChIInChI=1S/C20H18N2O6/c1-11(20(25)26)22-19(24)17-18(23)14-8-7-13(9-12(14)10-21-17)28-16-6-4-3-5-15(16)27-2/h3-11,23H,1-2H3,(H,22,24)(H,25,26)
InChIKeyRAMRZOOLHPQLLT-UHFFFAOYSA-N
XLogP2.94
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]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-[(S)-hydroxy(methoxy)methyl]-7-phenoxyisoquinoline-3-carbonyl]amino]propanoic acid
CID 69444395
(2R)-2-[[4-(hydroxymethoxymethyl)-7-phenoxyisoquinoline-3-carbonyl]amino]propanoic acid
CID 68838851
4-hydroxy-7-phenylsulfanyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 69068155
2-[(1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)amino]propanoic acid
CID 67110085
2-[[4-hydroxy-7-(4-methoxy-3,5-dimethylphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 68784307
2-[(1-cyano-4-hydroxy-8-phenoxyisoquinoline-3-carbonyl)amino]propanoic acid
CID 67110270
methyl (2S)-2-[(1-chloro-4-hydroxy-6-phenylmethoxyisoquinoline-3-carbonyl)amino]propanoate
CID 87120228
2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid
CID 67528996
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
2-[[4-[hydroxy(methoxy)methyl]-7-phenoxyisoquinoline-3-carbonyl]amino]acetic acid
CID 68916509
(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 156896926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid (CID 69329298) is 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid is COc1ccccc1Oc1ccc2c(O)c(C(=O)NC(C)C(=O)O)ncc2c1.
What is the InChIKey of 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid?
The InChIKey is RAMRZOOLHPQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-11(20(25)26)22-19(24)17-18(23)14-8-7-13(9-12(14)10-21-17)28-16-6-4-3-5-15(16)27-2/h3-11,23H,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid?
2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid has a molecular weight of 382.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 69329298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).