8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C16H20N2O3 — CID 2900453

IUPAC8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cc2c(c([N+](=O)[O-])c1)NC(C(C)C)C1CC=CC21
InChIInChI=1S/C16H20N2O3/c1-9(2)15-12-6-4-5-11(12)13-7-10(21-3)8-14(18(19)20)16(13)17-15/h4-5,7-9,11-12,15,17H,6H2,1-3H3
InChIKeyPJSSVBZCPVCAKH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.71
Rot. Bonds3

About 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 2900453) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID2900453
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cc2c(c([N+](=O)[O-])c1)NC(C(C)C)C1CC=CC21
InChIInChI=1S/C16H20N2O3/c1-9(2)15-12-6-4-5-11(12)13-7-10(21-3)8-14(18(19)20)16(13)17-15/h4-5,7-9,11-12,15,17H,6H2,1-3H3
InChIKeyPJSSVBZCPVCAKH-UHFFFAOYSA-N
XLogP3.71
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline 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 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 2900453) is 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is COc1cc2c(c([N+](=O)[O-])c1)NC(C(C)C)C1CC=CC21.
What is the InChIKey of 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is PJSSVBZCPVCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)15-12-6-4-5-11(12)13-7-10(21-3)8-14(18(19)20)16(13)17-15/h4-5,7-9,11-12,15,17H,6H2,1-3H3.
What are the key properties of 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 288.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-nitro-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 2900453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).