N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H20N2O4 — CID 18114889

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N2O4/c1-12(13-3-6-17-18(11-13)26-9-8-25-17)21-20(24)15-2-5-16-14(10-15)4-7-19(23)22-16/h2-3,5-6,10-12H,4,7-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXNNZQLMXXMYZJZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18114889) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18114889
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N2O4/c1-12(13-3-6-17-18(11-13)26-9-8-25-17)21-20(24)15-2-5-16-14(10-15)4-7-19(23)22-16/h2-3,5-6,10-12H,4,7-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXNNZQLMXXMYZJZ-UHFFFAOYSA-N
XLogP2.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18143617
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18293002
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51582804
4-cyano-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 51177603
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-9-oxofluorene-2-carboxamide
CID 16613066
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18114889) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is XNNZQLMXXMYZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(13-3-6-17-18(11-13)26-9-8-25-17)21-20(24)15-2-5-16-14(10-15)4-7-19(23)22-16/h2-3,5-6,10-12H,4,7-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18114889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).