4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C24H29N3O2 — CID 17237344

IUPAC4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(N(C)C)cc1)N2
InChIInChI=1S/C24H29N3O2/c1-27(2)18-10-7-16(8-11-18)23-20-6-4-5-19(20)21-15-17(9-12-22(21)26-23)24(28)25-13-14-29-3/h4-5,7-12,15,19-20,23,26H,6,13-14H2,1-3H3,(H,25,28)
InChIKeyQVBVPQJXUIANLX-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.96
Rot. Bonds6

About 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17237344) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
PubChem CID17237344
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(N(C)C)cc1)N2
InChIInChI=1S/C24H29N3O2/c1-27(2)18-10-7-16(8-11-18)23-20-6-4-5-19(20)21-15-17(9-12-22(21)26-23)24(28)25-13-14-29-3/h4-5,7-12,15,19-20,23,26H,6,13-14H2,1-3H3,(H,25,28)
InChIKeyQVBVPQJXUIANLX-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17237345
N-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17244476
4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17238341
(3aS,4S,9bR)-4-(4-bromophenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 124677917
4-[4-(dimethylamino)phenyl]-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17237334
(3aR,4R,9bR)-4-(4-chlorophenyl)-N-(2-hydroxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 126386991
(3aR,4S,9bR)-4-(4-chlorophenyl)-N-(2-hydroxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 126386992
N-ethyl-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17238179
[2-methoxy-4-[8-(3-methoxypropylcarbamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] acetate
CID 17239937
N-ethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17239175
N-[2-(diethylamino)ethyl]-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17244185
N-butyl-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17240880

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17237344) is 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is COCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(N(C)C)cc1)N2.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The InChIKey is QVBVPQJXUIANLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-27(2)18-10-7-16(8-11-18)23-20-6-4-5-19(20)21-15-17(9-12-22(21)26-23)24(28)25-13-14-29-3/h4-5,7-12,15,19-20,23,26H,6,13-14H2,1-3H3,(H,25,28).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17237344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).