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

C23H26N2O4 — CID 17238341

IUPAC4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)c(OC)c1)N2
InChIInChI=1S/C23H26N2O4/c1-28-11-10-24-23(27)15-6-8-19-18(12-15)16-4-3-5-17(16)22(25-19)14-7-9-20(26)21(13-14)29-2/h3-4,6-9,12-13,16-17,22,25-26H,5,10-11H2,1-2H3,(H,24,27)
InChIKeyJFWSAKSKZPBVSR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.60
Rot. Bonds6

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

4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17238341) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
PubChem CID17238341
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)c(OC)c1)N2
InChIInChI=1S/C23H26N2O4/c1-28-11-10-24-23(27)15-6-8-19-18(12-15)16-4-3-5-17(16)22(25-19)14-7-9-20(26)21(13-14)29-2/h3-4,6-9,12-13,16-17,22,25-26H,5,10-11H2,1-2H3,(H,24,27)
InChIKeyJFWSAKSKZPBVSR-UHFFFAOYSA-N
XLogP3.60
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-tert-butyl-4-(4-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17238335
N-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17244476
[2-methoxy-4-[8-(3-methoxypropylcarbamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] acetate
CID 17239937
4-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17237344
(3aS,4S,9bR)-4-(4-bromophenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 124677917
4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2771381
4-(8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
CID 17238203
N-butyl-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17240880
(3aR,4S,9bR)-4-(4-chlorophenyl)-N-(2-hydroxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 126386992
(3aR,4R,9bR)-4-(4-chlorophenyl)-N-(2-hydroxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 126386991
N-ethyl-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17238179
4-[4-(dimethylamino)phenyl]-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17237345

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17238341) is 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is COCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)c(OC)c1)N2.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The InChIKey is JFWSAKSKZPBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-11-10-24-23(27)15-6-8-19-18(12-15)16-4-3-5-17(16)22(25-19)14-7-9-20(26)21(13-14)29-2/h3-4,6-9,12-13,16-17,22,25-26H,5,10-11H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17238341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).