1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

C22H21N3O2 — CID 109141882

IUPAC1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21N3O2/c1-13-6-3-7-14(2)19(13)25-22(27)17-12-16(17)21(26)24-18-10-4-8-15-9-5-11-23-20(15)18/h3-11,16-17H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPYHDXLBPVOCPSF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.06
Rot. Bonds4

About 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109141882) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109141882
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21N3O2/c1-13-6-3-7-14(2)19(13)25-22(27)17-12-16(17)21(26)24-18-10-4-8-15-9-5-11-23-20(15)18/h3-11,16-17H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPYHDXLBPVOCPSF-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124766624

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109141882) is 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is PYHDXLBPVOCPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-6-3-7-14(2)19(13)25-22(27)17-12-16(17)21(26)24-18-10-4-8-15-9-5-11-23-20(15)18/h3-11,16-17H,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).