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

C23H23N3O2 — CID 109136841

IUPAC1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H23N3O2/c1-2-26(15-16-8-4-3-5-9-16)23(28)19-14-18(19)22(27)25-20-12-6-10-17-11-7-13-24-21(17)20/h3-13,18-19H,2,14-15H2,1H3,(H,25,27)
InChIKeyWVOPJDJUMWOHQB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.86
Rot. Bonds6

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

1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109136841) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109136841
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H23N3O2/c1-2-26(15-16-8-4-3-5-9-16)23(28)19-14-18(19)22(27)25-20-12-6-10-17-11-7-13-24-21(17)20/h3-13,18-19H,2,14-15H2,1H3,(H,25,27)
InChIKeyWVOPJDJUMWOHQB-UHFFFAOYSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
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
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109136841) is 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is WVOPJDJUMWOHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-26(15-16-8-4-3-5-9-16)23(28)19-14-18(19)22(27)25-20-12-6-10-17-11-7-13-24-21(17)20/h3-13,18-19H,2,14-15H2,1H3,(H,25,27).
What are the key properties of 1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.86, 6 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-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).