4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline

C16H14BrCl2N — CID 10177211

IUPAC4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrCl2N/c1-20-8-14(10-2-4-11(17)5-3-10)13-6-12(18)7-16(19)15(13)9-20/h2-7,14H,8-9H2,1H3
InChIKeyOGVXGNOUQNLCAU-UHFFFAOYSA-N
MW371.11 g/mol
LogP5.33
Rot. Bonds1

About 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline

4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10177211) has the molecular formula C16H14BrCl2N and a molecular weight of 371.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID10177211
Molecular FormulaC16H14BrCl2N
Molecular Weight371.11 g/mol
Exact Mass368.97
IUPAC Name4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrCl2N/c1-20-8-14(10-2-4-11(17)5-3-10)13-6-12(18)7-16(19)15(13)9-20/h2-7,14H,8-9H2,1H3
InChIKeyOGVXGNOUQNLCAU-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.11
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 10177211) is 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(Br)cc2)C1.
What is the InChIKey of 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OGVXGNOUQNLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N/c1-20-8-14(10-2-4-11(17)5-3-10)13-6-12(18)7-16(19)15(13)9-20/h2-7,14H,8-9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 371.11 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10177211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).