2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid

C20H18N2O4 — CID 167880372

IUPAC2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCOc1cc(C(=O)NCc2ccc(CC(=O)O)cc2)cc2cccnc12
InChIInChI=1S/C20H18N2O4/c1-26-17-11-16(10-15-3-2-8-21-19(15)17)20(25)22-12-14-6-4-13(5-7-14)9-18(23)24/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyPPZIRMDIQHUCJU-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid

2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 167880372) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID167880372
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCOc1cc(C(=O)NCc2ccc(CC(=O)O)cc2)cc2cccnc12
InChIInChI=1S/C20H18N2O4/c1-26-17-11-16(10-15-3-2-8-21-19(15)17)20(25)22-12-14-6-4-13(5-7-14)9-18(23)24/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyPPZIRMDIQHUCJU-UHFFFAOYSA-N
XLogP2.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic 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-(benzamidomethyl)phenyl]acetic acid
CID 89464611
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
CID 3920678
6-ethyl-8-methoxyquinoline
CID 137438692
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 141351888
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid (CID 167880372) is 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid is COc1cc(C(=O)NCc2ccc(CC(=O)O)cc2)cc2cccnc12.
What is the InChIKey of 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is PPZIRMDIQHUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-26-17-11-16(10-15-3-2-8-21-19(15)17)20(25)22-12-14-6-4-13(5-7-14)9-18(23)24/h2-8,10-11H,9,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid?
2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 167880372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).