N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C19H18N2O4 — CID 18143617

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-11(12-3-6-16-17(9-12)25-10-24-16)20-19(23)14-2-5-15-13(8-14)4-7-18(22)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyIWXODGSTFICYDA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18143617) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18143617
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-11(12-3-6-16-17(9-12)25-10-24-16)20-19(23)14-2-5-15-13(8-14)4-7-18(22)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyIWXODGSTFICYDA-UHFFFAOYSA-N
XLogP2.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzodioxol-5-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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114889
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762
3-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17449790
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 26111659
[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
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18143617) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IWXODGSTFICYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(12-3-6-16-17(9-12)25-10-24-16)20-19(23)14-2-5-15-13(8-14)4-7-18(22)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18143617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).