2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid

C18H18N2O4 — CID 167990039

IUPAC2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)NC2CCCc3ncccc32)cc1
InChIInChI=1S/C18H18N2O4/c21-17(22)11-24-13-8-6-12(7-9-13)18(23)20-16-5-1-4-15-14(16)3-2-10-19-15/h2-3,6-10,16H,1,4-5,11H2,(H,20,23)(H,21,22)
InChIKeyBXZBSVBGNXQWAS-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid

2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid (PubChem CID 167990039) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid
PubChem CID167990039
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)NC2CCCc3ncccc32)cc1
InChIInChI=1S/C18H18N2O4/c21-17(22)11-24-13-8-6-12(7-9-13)18(23)20-16-5-1-4-15-14(16)3-2-10-19-15/h2-3,6-10,16H,1,4-5,11H2,(H,20,23)(H,21,22)
InChIKeyBXZBSVBGNXQWAS-UHFFFAOYSA-N
XLogP2.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]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-[[5-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855469
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
5,6,7,8-tetrahydroquinolin-5-ylhydrazine
CID 53418196
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 93071532
2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
CID 136556476
2-quinolin-6-yloxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75405661
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid (CID 167990039) is 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)NC2CCCc3ncccc32)cc1.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid?
The InChIKey is BXZBSVBGNXQWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(22)11-24-13-8-6-12(7-9-13)18(23)20-16-5-1-4-15-14(16)3-2-10-19-15/h2-3,6-10,16H,1,4-5,11H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid?
2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 167990039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).