7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline

C16H15BrClN — CID 132590303

IUPAC7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Br)NC(c1ccccc1Cl)CC2
InChIInChI=1S/C16H15BrClN/c1-10-8-11-6-7-15(19-16(11)9-13(10)17)12-4-2-3-5-14(12)18/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyGEMPVAKMEVNVOI-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.51
Rot. Bonds1

About 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline

7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 132590303) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID132590303
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Br)NC(c1ccccc1Cl)CC2
InChIInChI=1S/C16H15BrClN/c1-10-8-11-6-7-15(19-16(11)9-13(10)17)12-4-2-3-5-14(12)18/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyGEMPVAKMEVNVOI-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline (CID 132590303) is 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc2c(cc1Br)NC(c1ccccc1Cl)CC2.
What is the InChIKey of 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GEMPVAKMEVNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c1-10-8-11-6-7-15(19-16(11)9-13(10)17)12-4-2-3-5-14(12)18/h2-5,8-9,15,19H,6-7H2,1H3.
What are the key properties of 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 336.66 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132590303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).