bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline

C70H102Cl6N6O3 — CID 158165096

About bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline

bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 158165096) has the molecular formula C70H102Cl6N6O3 and a molecular weight of 1288.34 g/mol. Its IUPAC name is bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
• PubChem CID: 158165096
• Molecular Formula: C70H102Cl6N6O3
• Molecular Weight: 1288.34 g/mol
• Exact Mass: 1284.61
• IUPAC Name: bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
• SMILES: C.C.C.C.C.C.C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(Cl)nc2c1C(=O)CCC2.Cc1cc(Cl)nc2c1C(C)CCC2.Cc1cc(Cl)nc2c1C(C)CCC2.Cc1cc(Cl)nc2c1C(O)CCC2.O=C1CCCc2nc(Cl)cc(Cl)c21
• InChI: InChI=1S/C12H17N.2C11H14ClN.C10H12ClNO.C10H10ClNO.C9H7Cl2NO.7CH4/c1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-4-3-5-9-11(7)8(2)6-10(12)13-9;2*1-6-5-9(11)12-7-3-2-4-8(13)10(6)7;10-5-4-8(11)12-6-2-1-3-7(13)9(5)6;;;;;;;/h7-8H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3;5,8,13H,2-4H2,1H3;5H,2-4H2,1H3;4H,1-3H2;7*1H4
• InChIKey: FWSYXGMMOJBLJN-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 131.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.34
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?

The IUPAC name of bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline (CID 158165096) is bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline is C.C.C.C.C.C.C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(Cl)nc2c1C(=O)CCC2.Cc1cc(Cl)nc2c1C(C)CCC2.Cc1cc(Cl)nc2c1C(C)CCC2.Cc1cc(Cl)nc2c1C(O)CCC2.O=C1CCCc2nc(Cl)cc(Cl)c21.

What is the InChIKey of bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?

The InChIKey is FWSYXGMMOJBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C11H14ClN.C10H12ClNO.C10H10ClNO.C9H7Cl2NO.7CH4/c1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-4-3-5-9-11(7)8(2)6-10(12)13-9;2*1-6-5-9(11)12-7-3-2-4-8(13)10(6)7;10-5-4-8(11)12-6-2-1-3-7(13)9(5)6;;;;;;;/h7-8H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3;5,8,13H,2-4H2,1H3;5H,2-4H2,1H3;4H,1-3H2;7*1H4.

What are the key properties of bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?

bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1288.34 g/mol, XLogP of 22.44, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158165096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).