N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide

C21H20N2O3 — CID 32520142

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c2ccccc2n1
InChIInChI=1S/C21H20N2O3/c1-14-11-17(16-5-3-4-6-18(16)22-14)21(24)23(2)13-15-7-8-19-20(12-15)26-10-9-25-19/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyLSMGAXXIEDLWQO-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.59
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide (PubChem CID 32520142) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
PubChem CID32520142
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c2ccccc2n1
InChIInChI=1S/C21H20N2O3/c1-14-11-17(16-5-3-4-6-18(16)22-14)21(24)23(2)13-15-7-8-19-20(12-15)26-10-9-25-19/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyLSMGAXXIEDLWQO-UHFFFAOYSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 40811970
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 71985757
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 80676660

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide (CID 32520142) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c2ccccc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is LSMGAXXIEDLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-11-17(16-5-3-4-6-18(16)22-14)21(24)23(2)13-15-7-8-19-20(12-15)26-10-9-25-19/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 32520142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).