6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline

C17H14Cl3N — CID 177433207

IUPAC6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline
SMILESCc1ccc2c(c1)C=CC(C(Cl)(Cl)Cl)N2c1ccccc1
InChIInChI=1S/C17H14Cl3N/c1-12-7-9-15-13(11-12)8-10-16(17(18,19)20)21(15)14-5-3-2-4-6-14/h2-11,16H,1H3
InChIKeyGMMICZPYUXNYRD-UHFFFAOYSA-N
MW338.67 g/mol
LogP5.90
Rot. Bonds1

About 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline

6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline (PubChem CID 177433207) has the molecular formula C17H14Cl3N and a molecular weight of 338.67 g/mol. Its IUPAC name is 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline
PubChem CID177433207
Molecular FormulaC17H14Cl3N
Molecular Weight338.67 g/mol
Exact Mass337.02
IUPAC Name6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline
SMILESCc1ccc2c(c1)C=CC(C(Cl)(Cl)Cl)N2c1ccccc1
InChIInChI=1S/C17H14Cl3N/c1-12-7-9-15-13(11-12)8-10-16(17(18,19)20)21(15)14-5-3-2-4-6-14/h2-11,16H,1H3
InChIKeyGMMICZPYUXNYRD-UHFFFAOYSA-N
XLogP5.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.67
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

lithium 6-methyl-2-phenyl-2H-quinolin-1-ide
CID 176883848
ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
CID 102220944
14-tert-butyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
CID 123789167
5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one
CID 174878770
3-methoxy-2,3-dimethylbutane-2-thiol;7-methyl-9-phenyl-4a,9a-dihydrocarbazole
CID 144661565
11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
CID 123210659
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
CID 773819
7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
CID 89473030
ethyl (2S)-6-methyl-2-(4-phenylbut-1-ynyl)-2H-quinoline-1-carboxylate
CID 122452558
1-benzoyl-7-chloro-2-(4-methylphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 4896757
benzene;tetrachloromethane;toluene
CID 172748154

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline?
The IUPAC name of 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline (CID 177433207) is 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline.
What is the SMILES notation for 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline?
The canonical SMILES for 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline is Cc1ccc2c(c1)C=CC(C(Cl)(Cl)Cl)N2c1ccccc1.
What is the InChIKey of 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline?
The InChIKey is GMMICZPYUXNYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N/c1-12-7-9-15-13(11-12)8-10-16(17(18,19)20)21(15)14-5-3-2-4-6-14/h2-11,16H,1H3.
What are the key properties of 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline?
6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline has a molecular weight of 338.67 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-2-(trichloromethyl)-2H-quinoline is sourced from PubChem (CID 177433207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).