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

C23H22N2O3 — CID 31363966

IUPAC2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-25(14-15-6-9-21-22(12-15)28-11-10-27-21)23(26)18-13-20(16-7-8-16)24-19-5-3-2-4-17(18)19/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyIJJGMAFCDRJWCX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.16
Rot. Bonds4

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

2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide (PubChem CID 31363966) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
PubChem CID31363966
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-25(14-15-6-9-21-22(12-15)28-11-10-27-21)23(26)18-13-20(16-7-8-16)24-19-5-3-2-4-17(18)19/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyIJJGMAFCDRJWCX-UHFFFAOYSA-N
XLogP4.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40764106

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide (CID 31363966) is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide?
The InChIKey is IJJGMAFCDRJWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-25(14-15-6-9-21-22(12-15)28-11-10-27-21)23(26)18-13-20(16-7-8-16)24-19-5-3-2-4-17(18)19/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3.
What are the key properties of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide?
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 31363966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).