N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide

C20H18N2O3 — CID 9191613

IUPACN-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H18N2O3/c1-3-15-19(12(2)14-6-4-5-7-16(14)22-15)20(23)21-13-8-9-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyAPLSWYWUIASCKX-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.09
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide (PubChem CID 9191613) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
PubChem CID9191613
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H18N2O3/c1-3-15-19(12(2)14-6-4-5-7-16(14)22-15)20(23)21-13-8-9-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyAPLSWYWUIASCKX-UHFFFAOYSA-N
XLogP4.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502572
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703196
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2553438
2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
CID 167921429
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3308985
N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 9036918
2-(1,3-benzodioxol-5-yl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 3540981

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide (CID 9191613) is N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide is CCc1nc2ccccc2c(C)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide?
The InChIKey is APLSWYWUIASCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-15-19(12(2)14-6-4-5-7-16(14)22-15)20(23)21-13-8-9-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 9191613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).