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

C60H89Cl4N5O2 — CID 158582416

IUPACbis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
SMILESC.C.C.C.C.C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2C
InChIInChI=1S/C12H17N.2C11H14ClN.2C10H10ClNO.6CH4/c1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;2*1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;;;;;;/h7-8H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5H,2-4H2,1H3;6*1H4
InChIKeyHTKLFUPEEHNOKE-UHFFFAOYSA-N
MW1054.22 g/mol
LogP19.05
Rot. Bonds

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

bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 158582416) has the molecular formula C60H89Cl4N5O2 and a molecular weight of 1054.22 g/mol. Its IUPAC name is bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Namebis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID158582416
Molecular FormulaC60H89Cl4N5O2
Molecular Weight1054.22 g/mol
Exact Mass1051.58
IUPAC Namebis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
SMILESC.C.C.C.C.C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2C
InChIInChI=1S/C12H17N.2C11H14ClN.2C10H10ClNO.6CH4/c1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;2*1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;;;;;;/h7-8H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5H,2-4H2,1H3;6*1H4
InChIKeyHTKLFUPEEHNOKE-UHFFFAOYSA-N
XLogP19.05
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.22
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

(2E)-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 139080686
(2E)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
CID 139080842
1-[6-Chloro-4-phenyl-2-(2-phenyl-3-quinolin-2-ylpropyl)quinolin-3-yl]ethanone
CID 176429676
1-(2-Chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
CID 157691450
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
1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
CID 158577448
4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
CID 159517969
3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
CID 160617909
1-(2-Chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;pentakis(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
CID 161315593
3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-4,6-dimethyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
CID 161725169
1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one);bis((3R)-1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one)
CID 161941341
9-Chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione;4,9-diethyl-3,8-dimethylpyrido[2,3-g]quinoline-5,10-dione;3,8-diethylpyrido[2,3-g]quinoline-5,10-dione;3,8-dimethylpyrido[2,3-g]quinoline-5,10-dione;4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione
CID 162175657

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline (CID 158582416) is bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline is C.C.C.C.C.C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2=O.Cc1cc(Cl)c2c(n1)CCCC2C.Cc1cc(Cl)c2c(n1)CCCC2C.
What is the InChIKey of bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is HTKLFUPEEHNOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C11H14ClN.2C10H10ClNO.6CH4/c1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;2*1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;;;;;;/h7-8H,4-6H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*5H,2-4H2,1H3;6*1H4.
What are the key properties of bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline?
bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1054.22 g/mol, XLogP of 19.05, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158582416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).