4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C19H22N2O3 — CID 2868331

IUPAC4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cc([N+](=O)[O-])cc2c1NC(C1CC=CCC1)C1CC=CC21
InChIInChI=1S/C19H22N2O3/c1-24-17-11-13(21(22)23)10-16-14-8-5-9-15(14)18(20-19(16)17)12-6-3-2-4-7-12/h2-3,5,8,10-12,14-15,18,20H,4,6-7,9H2,1H3
InChIKeyPSPLPPYNGLDIRF-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.41
Rot. Bonds3

About 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 2868331) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID2868331
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cc([N+](=O)[O-])cc2c1NC(C1CC=CCC1)C1CC=CC21
InChIInChI=1S/C19H22N2O3/c1-24-17-11-13(21(22)23)10-16-14-8-5-9-15(14)18(20-19(16)17)12-6-3-2-4-7-12/h2-3,5,8,10-12,14-15,18,20H,4,6-7,9H2,1H3
InChIKeyPSPLPPYNGLDIRF-UHFFFAOYSA-N
XLogP4.41
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-Methoxy-2-nitro-4-(8-nitro(3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl))benzene
CID 3136734
8-ethoxy-4-(2-fluorophenyl)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2878132
8-Methoxy-4-(4-nitrophenyl)-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinoline
CID 2873971
8-ethoxy-4-(4-fluorophenyl)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2868219
4-(4-fluorophenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2868928
(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-6-nitro-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 24770003
4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3136795
6-methoxy-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3136801
1-Methoxy-2-nitro-4-[6-(trifluoromethyl)(3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)]benzene
CID 2973413
(3aS,4R,9bR)-6-ethoxy-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6543305
6-methoxy-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2846897
8-Ethoxy-6-nitro-4-phenyl-3H,3AH,4H,5H,9BH-cyclopenta[C]quinoline
CID 2868059

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 2868331) is 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is COc1cc([N+](=O)[O-])cc2c1NC(C1CC=CCC1)C1CC=CC21.
What is the InChIKey of 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is PSPLPPYNGLDIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-17-11-13(21(22)23)10-16-14-8-5-9-15(14)18(20-19(16)17)12-6-3-2-4-7-12/h2-3,5,8,10-12,14-15,18,20H,4,6-7,9H2,1H3.
What are the key properties of 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 326.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 2868331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).