4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

C17H20N2O5 — CID 120542491

IUPAC4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C1CC(C(=O)NCC2(C(=O)O)CCOCC2)c2ccccc2N1
InChIInChI=1S/C17H20N2O5/c20-14-9-12(11-3-1-2-4-13(11)19-14)15(21)18-10-17(16(22)23)5-7-24-8-6-17/h1-4,12H,5-10H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyXAZJFPRFWMDRSF-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.11
Rot. Bonds4

About 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542491) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120542491
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C1CC(C(=O)NCC2(C(=O)O)CCOCC2)c2ccccc2N1
InChIInChI=1S/C17H20N2O5/c20-14-9-12(11-3-1-2-4-13(11)19-14)15(21)18-10-17(16(22)23)5-7-24-8-6-17/h1-4,12H,5-10H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyXAZJFPRFWMDRSF-UHFFFAOYSA-N
XLogP1.11
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541706
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
(4S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017875
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134027214
4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542776
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55512306

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120542491) is 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is O=C1CC(C(=O)NCC2(C(=O)O)CCOCC2)c2ccccc2N1.
What is the InChIKey of 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is XAZJFPRFWMDRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-14-9-12(11-3-1-2-4-13(11)19-14)15(21)18-10-17(16(22)23)5-7-24-8-6-17/h1-4,12H,5-10H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).