N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide

C21H18N2O4 — CID 51283741

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc3cc(C)ccc3nc1C)OCO2
InChIInChI=1S/C21H18N2O4/c1-11-4-5-17-14(6-11)7-15(12(2)22-17)21(25)23-18-9-20-19(26-10-27-20)8-16(18)13(3)24/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyZMDDNMZQSAZRPJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.04
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 51283741) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID51283741
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc3cc(C)ccc3nc1C)OCO2
InChIInChI=1S/C21H18N2O4/c1-11-4-5-17-14(6-11)7-15(12(2)22-17)21(25)23-18-9-20-19(26-10-27-20)8-16(18)13(3)24/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyZMDDNMZQSAZRPJ-UHFFFAOYSA-N
XLogP4.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
CID 51283562
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 37235013
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
CID 2541719

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide (CID 51283741) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1cc3cc(C)ccc3nc1C)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is ZMDDNMZQSAZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-11-4-5-17-14(6-11)7-15(12(2)22-17)21(25)23-18-9-20-19(26-10-27-20)8-16(18)13(3)24/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 51283741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).