2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid

C20H20N2O6 — CID 119180338

IUPAC2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccc1OCC(=O)O
InChIInChI=1S/C20H20N2O6/c1-2-27-17-10-13(3-7-16(17)28-11-19(24)25)20(26)21-14-5-6-15-12(9-14)4-8-18(23)22-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyGGRYHQSWZRJVFA-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.69
Rot. Bonds7

About 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 119180338) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
PubChem CID119180338
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccc1OCC(=O)O
InChIInChI=1S/C20H20N2O6/c1-2-27-17-10-13(3-7-16(17)28-11-19(24)25)20(26)21-14-5-6-15-12(9-14)4-8-18(23)22-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyGGRYHQSWZRJVFA-UHFFFAOYSA-N
XLogP2.69
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[2-ethoxy-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]phenoxy]acetic acid
CID 120549970
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764
2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 46786283
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide
CID 171138862
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid (CID 119180338) is 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GGRYHQSWZRJVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-2-27-17-10-13(3-7-16(17)28-11-19(24)25)20(26)21-14-5-6-15-12(9-14)4-8-18(23)22-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 384.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119180338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).