9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C20H20ClN — CID 17241756

IUPAC9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccccc1C1Nc2c(C)ccc(Cl)c2C2C=CCC21
InChIInChI=1S/C20H20ClN/c1-12-6-3-4-7-14(12)20-16-9-5-8-15(16)18-17(21)11-10-13(2)19(18)22-20/h3-8,10-11,15-16,20,22H,9H2,1-2H3
InChIKeyBXCNAGXQJSTPEY-UHFFFAOYSA-N
MW309.84 g/mol
LogP5.78
Rot. Bonds1

About 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17241756) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17241756
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccccc1C1Nc2c(C)ccc(Cl)c2C2C=CCC21
InChIInChI=1S/C20H20ClN/c1-12-6-3-4-7-14(12)20-16-9-5-8-15(16)18-17(21)11-10-13(2)19(18)22-20/h3-8,10-11,15-16,20,22H,9H2,1-2H3
InChIKeyBXCNAGXQJSTPEY-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aS,4S,9bR)-4-(2-chlorophenyl)-6,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 29122092
6,9-dichloro-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239520
(3aS,4R,9bR)-4-anthracen-9-yl-9-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124678074
9-chloro-4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243839
9-chloro-6-methyl-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242070
9-chloro-6-methyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239102
4-(2-methoxyphenyl)-6,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242840
(4R)-6,9-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 132799909
(3aS,4S,9bR)-6,9-dimethyl-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126158898
(3aS,4S,9bR)-4-(2,4-dichlorophenyl)-6,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 29126043
(3aR,4S,9bS)-4-(2-bromophenyl)-9-chloro-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 40632962
4-[(3aS,4S,9bR)-9-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
CID 7022214

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17241756) is 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1ccccc1C1Nc2c(C)ccc(Cl)c2C2C=CCC21.
What is the InChIKey of 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is BXCNAGXQJSTPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN/c1-12-6-3-4-7-14(12)20-16-9-5-8-15(16)18-17(21)11-10-13(2)19(18)22-20/h3-8,10-11,15-16,20,22H,9H2,1-2H3.
What are the key properties of 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 309.84 g/mol, XLogP of 5.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-methyl-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17241756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).