2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid

C19H20N2O5 — CID 119246485

IUPAC2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)c1
InChIInChI=1S/C19H20N2O5/c22-17(23)11-26-14-6-3-4-12(8-14)10-20-18(24)15-9-13-5-1-2-7-16(13)21-19(15)25/h3-4,6,8-9H,1-2,5,7,10-11H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyALDPPGAJTXOKBY-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.65
Rot. Bonds6

About 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid

2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 119246485) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID119246485
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)c1
InChIInChI=1S/C19H20N2O5/c22-17(23)11-26-14-6-3-4-12(8-14)10-20-18(24)15-9-13-5-1-2-7-16(13)21-19(15)25/h3-4,6,8-9H,1-2,5,7,10-11H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyALDPPGAJTXOKBY-UHFFFAOYSA-N
XLogP1.65
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71893668
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66502657
2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)carbamoyl]phenoxy]acetic acid
CID 167920704
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
2-[3-[[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]methyl]phenoxy]acetic acid
CID 125152346
2-[3-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]phenoxy]acetic acid
CID 70940444
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167796117
2-[3-[[(1-methylsulfonylcyclopentanecarbonyl)amino]methyl]phenoxy]acetic acid
CID 119246792
2-[[4-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220455

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid (CID 119246485) is 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)c1.
What is the InChIKey of 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is ALDPPGAJTXOKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17(23)11-26-14-6-3-4-12(8-14)10-20-18(24)15-9-13-5-1-2-7-16(13)21-19(15)25/h3-4,6,8-9H,1-2,5,7,10-11H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).