2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid

C18H18N2O5 — CID 167920704

IUPAC2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1
InChIInChI=1S/C18H18N2O5/c21-16(22)10-25-13-7-5-11(6-8-13)17(23)20-15-9-12-3-1-2-4-14(12)19-18(15)24/h5-9H,1-4,10H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeySAXBJHJSIATGLY-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid

2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 167920704) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid
PubChem CID167920704
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1
InChIInChI=1S/C18H18N2O5/c21-16(22)10-25-13-7-5-11(6-8-13)17(23)20-15-9-12-3-1-2-4-14(12)19-18(15)24/h5-9H,1-4,10H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeySAXBJHJSIATGLY-UHFFFAOYSA-N
XLogP1.97
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[[4-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220455
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-(4-benzamidophenoxy)acetic acid
CID 3830392
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[3-methyl-4-[[4-(pyrrolidin-1-ylamino)benzoyl]amino]phenoxy]acetic acid
CID 54409337
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide
CID 167972159
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid (CID 167920704) is 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1.
What is the InChIKey of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is SAXBJHJSIATGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-16(22)10-25-13-7-5-11(6-8-13)17(23)20-15-9-12-3-1-2-4-14(12)19-18(15)24/h5-9H,1-4,10H2,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid?
2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 342.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 167920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).