N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C26H26N2O2 — CID 17240867

IUPACN-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2c1NC(c1ccc3ccccc3c1)C1CC=CC21
InChIInChI=1S/C26H26N2O2/c1-30-15-14-27-26(29)23-11-5-10-22-20-8-4-9-21(20)24(28-25(22)23)19-13-12-17-6-2-3-7-18(17)16-19/h2-8,10-13,16,20-21,24,28H,9,14-15H2,1H3,(H,27,29)
InChIKeyNXRXPXQBKDNHTN-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.04
Rot. Bonds5

About N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17240867) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17240867
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2c1NC(c1ccc3ccccc3c1)C1CC=CC21
InChIInChI=1S/C26H26N2O2/c1-30-15-14-27-26(29)23-11-5-10-22-20-8-4-9-21(20)24(28-25(22)23)19-13-12-17-6-2-3-7-18(17)16-19/h2-8,10-13,16,20-21,24,28H,9,14-15H2,1H3,(H,27,29)
InChIKeyNXRXPXQBKDNHTN-UHFFFAOYSA-N
XLogP5.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3-nitrophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17240246
4-(4-fluorophenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243879
N-(2-methoxyethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243579
N-(3-methoxypropyl)-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236980
4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236830
4-(4-hydroxy-3-methoxyphenyl)-N-(2-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17238262
4-(2-ethoxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242776
4-(4-fluorophenyl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243849
4-(2-methoxynaphthalen-1-yl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242408
N-ethyl-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242082
N-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239089
N-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239287

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17240867) is N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is COCCNC(=O)c1cccc2c1NC(c1ccc3ccccc3c1)C1CC=CC21.
What is the InChIKey of N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is NXRXPXQBKDNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-30-15-14-27-26(29)23-11-5-10-22-20-8-4-9-21(20)24(28-25(22)23)19-13-12-17-6-2-3-7-18(17)16-19/h2-8,10-13,16,20-21,24,28H,9,14-15H2,1H3,(H,27,29).
What are the key properties of N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17240867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).