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

C19H16Cl3N — CID 17241408

IUPAC7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1c(Cl)ccc2c1NC(c1ccc(Cl)cc1Cl)C1CC=CC21
InChIInChI=1S/C19H16Cl3N/c1-10-16(21)8-7-14-12-3-2-4-13(12)19(23-18(10)14)15-6-5-11(20)9-17(15)22/h2-3,5-9,12-13,19,23H,4H2,1H3
InChIKeyRLQCCKHBGMEWKY-UHFFFAOYSA-N
MW364.70 g/mol
LogP6.78
Rot. Bonds1

About 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17241408) has the molecular formula C19H16Cl3N and a molecular weight of 364.70 g/mol. Its IUPAC name is 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17241408
Molecular FormulaC19H16Cl3N
Molecular Weight364.70 g/mol
Exact Mass363.03
IUPAC Name7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1c(Cl)ccc2c1NC(c1ccc(Cl)cc1Cl)C1CC=CC21
InChIInChI=1S/C19H16Cl3N/c1-10-16(21)8-7-14-12-3-2-4-13(12)19(23-18(10)14)15-6-5-11(20)9-17(15)22/h2-3,5-9,12-13,19,23H,4H2,1H3
InChIKeyRLQCCKHBGMEWKY-UHFFFAOYSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 56.78
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'}

Analyze 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Related Compounds

(3aS,4R,9bR)-4-(2,4-dichlorophenyl)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124677973
4-(2,4-dichlorophenyl)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241428
(3aR,4S,9bS)-7-chloro-4-(4-chlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 40722914
(3aR,4S,9bR)-7-chloro-4-(2-chlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 29122103
(3aR,4S,9bR)-7-chloro-4-(2-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126157542
(3aS,4S,9bR)-4-(2,4-dichlorophenyl)-6,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 29126043
(3aS,4S,9bS)-7-chloro-4-(2,3-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 40544257
(3aS,4S,9bR)-7-chloro-4-(2,3-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124678009
7-chloro-4-(2,3-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 23770632
7-chloro-4-(2,6-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243004
(3aR,4R,9bR)-4-(2,4-dichlorophenyl)-6-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7977147
(3aS,4R,9bR)-4-(2,4-dichlorophenyl)-6-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7977146

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17241408) is 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1c(Cl)ccc2c1NC(c1ccc(Cl)cc1Cl)C1CC=CC21.
What is the InChIKey of 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is RLQCCKHBGMEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N/c1-10-16(21)8-7-14-12-3-2-4-13(12)19(23-18(10)14)15-6-5-11(20)9-17(15)22/h2-3,5-9,12-13,19,23H,4H2,1H3.
What are the key properties of 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 364.70 g/mol, XLogP of 6.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2,4-dichlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17241408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).