10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline

C15H7BrClNO — CID 166502709

IUPAC10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline
SMILESClc1ccc(Br)c2c1oc1cc3ccncc3cc12
InChIInChI=1S/C15H7BrClNO/c16-11-1-2-12(17)15-14(11)10-5-9-7-18-4-3-8(9)6-13(10)19-15/h1-7H
InChIKeyLGHNTCADRCSXHQ-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.55
Rot. Bonds

About 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline

10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166502709) has the molecular formula C15H7BrClNO and a molecular weight of 332.58 g/mol. Its IUPAC name is 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166502709
Molecular FormulaC15H7BrClNO
Molecular Weight332.58 g/mol
Exact Mass330.94
IUPAC Name10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline
SMILESClc1ccc(Br)c2c1oc1cc3ccncc3cc12
InChIInChI=1S/C15H7BrClNO/c16-11-1-2-12(17)15-14(11)10-5-9-7-18-4-3-8(9)6-13(10)19-15/h1-7H
InChIKeyLGHNTCADRCSXHQ-UHFFFAOYSA-N
XLogP5.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-[1]benzofuro[3,2-g]isoquinoline
CID 166502382
7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
CID 166502646
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
CID 163959386
11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
6-bromo-[1]benzofuro[2,3-h]isoquinoline
CID 164837106
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
3-bromo-1H-pyrrolo[3,2-g]isoquinoline
CID 177383219
6-bromo-5-chloroisoquinoline
CID 58433034
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-[1]benzofuro[3,2-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]quinoline
CID 167616003
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166502717
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline (CID 166502709) is 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline is Clc1ccc(Br)c2c1oc1cc3ccncc3cc12.
What is the InChIKey of 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is LGHNTCADRCSXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClNO/c16-11-1-2-12(17)15-14(11)10-5-9-7-18-4-3-8(9)6-13(10)19-15/h1-7H.
What are the key properties of 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline?
10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 332.58 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166502709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).