4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C25H28N2O4 — CID 17238440

IUPAC4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOc1cccc(C2Nc3c(C(=O)NCC4CCCO4)cccc3C3C=CCC32)c1O
InChIInChI=1S/C25H28N2O4/c1-30-21-12-4-10-19(24(21)28)22-17-8-2-7-16(17)18-9-3-11-20(23(18)27-22)25(29)26-14-15-6-5-13-31-15/h2-4,7,9-12,15-17,22,27-28H,5-6,8,13-14H2,1H3,(H,26,29)
InChIKeyNCDOXRNWVORWIV-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.14
Rot. Bonds5

About 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17238440) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17238440
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOc1cccc(C2Nc3c(C(=O)NCC4CCCO4)cccc3C3C=CCC32)c1O
InChIInChI=1S/C25H28N2O4/c1-30-21-12-4-10-19(24(21)28)22-17-8-2-7-16(17)18-9-3-11-20(23(18)27-22)25(29)26-14-15-6-5-13-31-15/h2-4,7,9-12,15-17,22,27-28H,5-6,8,13-14H2,1H3,(H,26,29)
InChIKeyNCDOXRNWVORWIV-UHFFFAOYSA-N
XLogP4.14
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.14
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17238440) is 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is COc1cccc(C2Nc3c(C(=O)NCC4CCCO4)cccc3C3C=CCC32)c1O.
What is the InChIKey of 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is NCDOXRNWVORWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-30-21-12-4-10-19(24(21)28)22-17-8-2-7-16(17)18-9-3-11-20(23(18)27-22)25(29)26-14-15-6-5-13-31-15/h2-4,7,9-12,15-17,22,27-28H,5-6,8,13-14H2,1H3,(H,26,29).
What are the key properties of 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17238440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).