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

C21H18N2O5 — CID 33076586

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2c1
InChIInChI=1S/C21H18N2O5/c1-11-15(7-13-6-14(26-3)4-5-17(13)22-11)21(25)23-18-9-20-19(27-10-28-20)8-16(18)12(2)24/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKRGKOWWHYMSTRY-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.74
Rot. Bonds4

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 33076586) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID33076586
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2c1
InChIInChI=1S/C21H18N2O5/c1-11-15(7-13-6-14(26-3)4-5-17(13)22-11)21(25)23-18-9-20-19(27-10-28-20)8-16(18)12(2)24/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKRGKOWWHYMSTRY-UHFFFAOYSA-N
XLogP3.74
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
CID 51283741
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55364059
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 37235013
N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46485527
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054302

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide (CID 33076586) is N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc2c1.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is KRGKOWWHYMSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-11-15(7-13-6-14(26-3)4-5-17(13)22-11)21(25)23-18-9-20-19(27-10-28-20)8-16(18)12(2)24/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33076586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).