N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C28H34N2O2 — CID 17242231

IUPACN-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCCOc1ccc(C2Nc3c(C(=O)N(C)C4CCCCC4)cccc3C3C=CCC32)cc1
InChIInChI=1S/C28H34N2O2/c1-3-32-21-17-15-19(16-18-21)26-23-12-7-11-22(23)24-13-8-14-25(27(24)29-26)28(31)30(2)20-9-5-4-6-10-20/h7-8,11,13-18,20,22-23,26,29H,3-6,9-10,12H2,1-2H3
InChIKeyGMCJNMKWKSSZOI-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.32
Rot. Bonds5

About N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17242231) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17242231
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCCOc1ccc(C2Nc3c(C(=O)N(C)C4CCCCC4)cccc3C3C=CCC32)cc1
InChIInChI=1S/C28H34N2O2/c1-3-32-21-17-15-19(16-18-21)26-23-12-7-11-22(23)24-13-8-14-25(27(24)29-26)28(31)30(2)20-9-5-4-6-10-20/h7-8,11,13-18,20,22-23,26,29H,3-6,9-10,12H2,1-2H3
InChIKeyGMCJNMKWKSSZOI-UHFFFAOYSA-N
XLogP6.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(2-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242738
N-cyclohexyl-4-(3,4-dimethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17241915
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
CID 17242226
N-cyclohexyl-N-methyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236942
N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243843
N-(4-ethoxyphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17244261
N-ethyl-4-(4-methoxyphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236375
16-(4-ethoxyphenyl)-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12-hexaene
CID 17242147
N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17240014
(3aS,4R,9bS)-N,N-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 11878251
6-ethoxy-4-(4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17236305
N-benzyl-N-methyl-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17238105

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17242231) is N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CCOc1ccc(C2Nc3c(C(=O)N(C)C4CCCCC4)cccc3C3C=CCC32)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is GMCJNMKWKSSZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-32-21-17-15-19(16-18-21)26-23-12-7-11-22(23)24-13-8-14-25(27(24)29-26)28(31)30(2)20-9-5-4-6-10-20/h7-8,11,13-18,20,22-23,26,29H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17242231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).