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

C32H34N2O2 — CID 17240014

IUPACN-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2c1NC(c1ccc(OCc3ccccc3)cc1)C1CC=CC21
InChIInChI=1S/C32H34N2O2/c35-32(33-24-11-5-2-6-12-24)29-16-8-15-28-26-13-7-14-27(26)30(34-31(28)29)23-17-19-25(20-18-23)36-21-22-9-3-1-4-10-22/h1,3-4,7-10,13,15-20,24,26-27,30,34H,2,5-6,11-12,14,21H2,(H,33,35)
InChIKeyQZVYPDFAXPOMNM-UHFFFAOYSA-N
MW478.64 g/mol
LogP7.15
Rot. Bonds6

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

N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17240014) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17240014
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2c1NC(c1ccc(OCc3ccccc3)cc1)C1CC=CC21
InChIInChI=1S/C32H34N2O2/c35-32(33-24-11-5-2-6-12-24)29-16-8-15-28-26-13-7-14-27(26)30(34-31(28)29)23-17-19-25(20-18-23)36-21-22-9-3-1-4-10-22/h1,3-4,7-10,13,15-20,24,26-27,30,34H,2,5-6,11-12,14,21H2,(H,33,35)
InChIKeyQZVYPDFAXPOMNM-UHFFFAOYSA-N
XLogP7.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 57.15
H-Bond Donors ≤ 52
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'}

Analyze N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17244261
methyl 4-(2-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
CID 17241136
N-(4-anilinophenyl)-4-(2-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17241166
N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239089
(3aS,4R,9bS)-6-chloro-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 6567155
N-cyclohexyl-4-(4-ethoxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242231
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
CID 17242226
4-(4-hydroxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236525
(4S)-6-chloro-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
CID 21229962
4-(2-chloro-5-nitrophenyl)-N-cyclohexyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17240467
(3aS,4S,9bR)-6-chloro-4-[4-[(4-methylphenyl)methoxy]phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 23857125
4-(2-chlorophenyl)-N-(2-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239523

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17240014) is N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is O=C(NC1CCCCC1)c1cccc2c1NC(c1ccc(OCc3ccccc3)cc1)C1CC=CC21.
What is the InChIKey of N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is QZVYPDFAXPOMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-32(33-24-11-5-2-6-12-24)29-16-8-15-28-26-13-7-14-27(26)30(34-31(28)29)23-17-19-25(20-18-23)36-21-22-9-3-1-4-10-22/h1,3-4,7-10,13,15-20,24,26-27,30,34H,2,5-6,11-12,14,21H2,(H,33,35).
What are the key properties of N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17240014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).