N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H18N2O5 — CID 55747326

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCOc2ccc3c(c2)OCO3)c2ccccc2N1
InChIInChI=1S/C19H18N2O5/c22-18-10-14(13-3-1-2-4-15(13)21-18)19(23)20-7-8-24-12-5-6-16-17(9-12)26-11-25-16/h1-6,9,14H,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeySKKANIAMJBUTOZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 55747326) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID55747326
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCOc2ccc3c(c2)OCO3)c2ccccc2N1
InChIInChI=1S/C19H18N2O5/c22-18-10-14(13-3-1-2-4-15(13)21-18)19(23)20-7-8-24-12-5-6-16-17(9-12)26-11-25-16/h1-6,9,14H,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeySKKANIAMJBUTOZ-UHFFFAOYSA-N
XLogP2.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017875
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
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131904231
trans-(1R,2R)-2-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119800
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167762290
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120925919
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116
(4R)-7-fluoro-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41404978

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 55747326) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCOc2ccc3c(c2)OCO3)c2ccccc2N1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SKKANIAMJBUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-18-10-14(13-3-1-2-4-15(13)21-18)19(23)20-7-8-24-12-5-6-16-17(9-12)26-11-25-16/h1-6,9,14H,7-8,10-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55747326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).