7-bromo-N-(3-bromophenyl)isoquinolin-1-amine

C15H10Br2N2 — CID 46879685

IUPAC7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
SMILESBrc1cccc(Nc2nccc3ccc(Br)cc23)c1
InChIInChI=1S/C15H10Br2N2/c16-11-2-1-3-13(8-11)19-15-14-9-12(17)5-4-10(14)6-7-18-15/h1-9H,(H,18,19)
InChIKeyFGMDNVCIUONADU-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.50
Rot. Bonds2

About 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine

7-bromo-N-(3-bromophenyl)isoquinolin-1-amine (PubChem CID 46879685) has the molecular formula C15H10Br2N2 and a molecular weight of 378.07 g/mol. Its IUPAC name is 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
PubChem CID46879685
Molecular FormulaC15H10Br2N2
Molecular Weight378.07 g/mol
Exact Mass375.92
IUPAC Name7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
SMILESBrc1cccc(Nc2nccc3ccc(Br)cc23)c1
InChIInChI=1S/C15H10Br2N2/c16-11-2-1-3-13(8-11)19-15-14-9-12(17)5-4-10(14)6-7-18-15/h1-9H,(H,18,19)
InChIKeyFGMDNVCIUONADU-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.07
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine?
The IUPAC name of 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine (CID 46879685) is 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine.
What is the SMILES notation for 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine?
The canonical SMILES for 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine is Brc1cccc(Nc2nccc3ccc(Br)cc23)c1.
What is the InChIKey of 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine?
The InChIKey is FGMDNVCIUONADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2/c16-11-2-1-3-13(8-11)19-15-14-9-12(17)5-4-10(14)6-7-18-15/h1-9H,(H,18,19).
What are the key properties of 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine?
7-bromo-N-(3-bromophenyl)isoquinolin-1-amine has a molecular weight of 378.07 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-bromophenyl)isoquinolin-1-amine is sourced from PubChem (CID 46879685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).