1-(4-bromophenyl)-7-methylisoquinoline

C16H12BrN — CID 151267049

IUPAC1-(4-bromophenyl)-7-methylisoquinoline
SMILESCc1ccc2ccnc(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H12BrN/c1-11-2-3-12-8-9-18-16(15(12)10-11)13-4-6-14(17)7-5-13/h2-10H,1H3
InChIKeyNVOJFUPWKWJQHI-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.97
Rot. Bonds1

About 1-(4-bromophenyl)-7-methylisoquinoline

1-(4-bromophenyl)-7-methylisoquinoline (PubChem CID 151267049) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-methylisoquinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-methylisoquinoline
PubChem CID151267049
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC Name1-(4-bromophenyl)-7-methylisoquinoline
SMILESCc1ccc2ccnc(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H12BrN/c1-11-2-3-12-8-9-18-16(15(12)10-11)13-4-6-14(17)7-5-13/h2-10H,1H3
InChIKeyNVOJFUPWKWJQHI-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174060944
CID 174060944
1,7-dimethylisoquinoline
CID 59050335
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 58892513
1-fluoro-7-methylisoquinoline
CID 150517558
7-methylisoquinolin-1-amine
CID 18727905
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
2-(4-bromophenyl)-4-(4-methylphenyl)pyridine
CID 175163792
7-methylisoquinolin-1-amine;propane
CID 142933220
N,7-dimethylisoquinolin-1-amine
CID 59108894
4-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methylbut-2-en-1-amine
CID 67598993
N-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methylbut-2-en-1-amine
CID 173306369

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-methylisoquinoline?
The IUPAC name of 1-(4-bromophenyl)-7-methylisoquinoline (CID 151267049) is 1-(4-bromophenyl)-7-methylisoquinoline.
What is the SMILES notation for 1-(4-bromophenyl)-7-methylisoquinoline?
The canonical SMILES for 1-(4-bromophenyl)-7-methylisoquinoline is Cc1ccc2ccnc(-c3ccc(Br)cc3)c2c1.
What is the InChIKey of 1-(4-bromophenyl)-7-methylisoquinoline?
The InChIKey is NVOJFUPWKWJQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c1-11-2-3-12-8-9-18-16(15(12)10-11)13-4-6-14(17)7-5-13/h2-10H,1H3.
What are the key properties of 1-(4-bromophenyl)-7-methylisoquinoline?
1-(4-bromophenyl)-7-methylisoquinoline has a molecular weight of 298.18 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-methylisoquinoline is sourced from PubChem (CID 151267049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).