N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C13H16N2O4 — CID 103728105

IUPACN-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOCCONC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-6-7-19-15-13(17)10-2-4-11-9(8-10)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRDQPDJBSPOEJGS-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.88
Rot. Bonds5

About N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 103728105) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID103728105
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOCCONC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-6-7-19-15-13(17)10-2-4-11-9(8-10)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRDQPDJBSPOEJGS-UHFFFAOYSA-N
XLogP0.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712434
N-[(E)-4-aminobut-2-enyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711711
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120887230
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119569730

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 103728105) is N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is COCCONC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is RDQPDJBSPOEJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-6-7-19-15-13(17)10-2-4-11-9(8-10)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 103728105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).