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

C23H26N2O4 — CID 17236830

IUPAC4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCCNC(=O)c1cccc2c1NC(c1ccc(O)cc1O)C1CC=CC21
InChIInChI=1S/C23H26N2O4/c1-29-12-4-11-24-23(28)19-8-3-7-17-15-5-2-6-16(15)21(25-22(17)19)18-10-9-14(26)13-20(18)27/h2-3,5,7-10,13,15-16,21,25-27H,4,6,11-12H2,1H3,(H,24,28)
InChIKeyZXMYNHSIKHLDJD-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.69
Rot. Bonds6

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

4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17236830) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17236830
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCCNC(=O)c1cccc2c1NC(c1ccc(O)cc1O)C1CC=CC21
InChIInChI=1S/C23H26N2O4/c1-29-12-4-11-24-23(28)19-8-3-7-17-15-5-2-6-16(15)21(25-22(17)19)18-10-9-14(26)13-20(18)27/h2-3,5,7-10,13,15-16,21,25-27H,4,6,11-12H2,1H3,(H,24,28)
InChIKeyZXMYNHSIKHLDJD-UHFFFAOYSA-N
XLogP3.69
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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'}

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

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Related Compounds

4-(4-fluorophenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243879
4-(2-ethoxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242776
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-(3,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236798
N-(2-methoxyethyl)-4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17240867
N-(2-methoxyethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243579
N-butyl-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242111
azepan-1-yl-[4-(2,4-dihydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]methanone
CID 17236791
4-(3,5-dichloro-2-hydroxyphenyl)-N-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239714
4-(4-hydroxy-3-methoxyphenyl)-N-(2-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17238262
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-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243849

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17236830) is 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is COCCCNC(=O)c1cccc2c1NC(c1ccc(O)cc1O)C1CC=CC21.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is ZXMYNHSIKHLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-12-4-11-24-23(28)19-8-3-7-17-15-5-2-6-16(15)21(25-22(17)19)18-10-9-14(26)13-20(18)27/h2-3,5,7-10,13,15-16,21,25-27H,4,6,11-12H2,1H3,(H,24,28).
What are the key properties of 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-N-(3-methoxypropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17236830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).