1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

C22H21N3O2 — CID 109135854

IUPAC1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21N3O2/c1-25(14-15-7-3-2-4-8-15)22(27)18-13-17(18)21(26)24-19-11-5-9-16-10-6-12-23-20(16)19/h2-12,17-18H,13-14H2,1H3,(H,24,26)
InChIKeyNAKOICDZYUGVJO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.47
Rot. Bonds5

About 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109135854) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109135854
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21N3O2/c1-25(14-15-7-3-2-4-8-15)22(27)18-13-17(18)21(26)24-19-11-5-9-16-10-6-12-23-20(16)19/h2-12,17-18H,13-14H2,1H3,(H,24,26)
InChIKeyNAKOICDZYUGVJO-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109135854) is 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is NAKOICDZYUGVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(14-15-7-3-2-4-8-15)22(27)18-13-17(18)21(26)24-19-11-5-9-16-10-6-12-23-20(16)19/h2-12,17-18H,13-14H2,1H3,(H,24,26).
What are the key properties of 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).