6-bromo-[1]benzofuro[2,3-h]isoquinoline

C15H8BrNO — CID 164837106

IUPAC6-bromo-[1]benzofuro[2,3-h]isoquinoline
SMILESBrc1cc2ccncc2c2c1oc1ccccc12
InChIInChI=1S/C15H8BrNO/c16-12-7-9-5-6-17-8-11(9)14-10-3-1-2-4-13(10)18-15(12)14/h1-8H
InChIKeyGZPBDKBXQHTLQP-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.90
Rot. Bonds

About 6-bromo-[1]benzofuro[2,3-h]isoquinoline

6-bromo-[1]benzofuro[2,3-h]isoquinoline (PubChem CID 164837106) has the molecular formula C15H8BrNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 6-bromo-[1]benzofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name6-bromo-[1]benzofuro[2,3-h]isoquinoline
PubChem CID164837106
Molecular FormulaC15H8BrNO
Molecular Weight298.14 g/mol
Exact Mass296.98
IUPAC Name6-bromo-[1]benzofuro[2,3-h]isoquinoline
SMILESBrc1cc2ccncc2c2c1oc1ccccc12
InChIInChI=1S/C15H8BrNO/c16-12-7-9-5-6-17-8-11(9)14-10-3-1-2-4-13(10)18-15(12)14/h1-8H
InChIKeyGZPBDKBXQHTLQP-UHFFFAOYSA-N
XLogP4.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
CID 148500416
CID 148500416
12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174297066
4-bromodibenzofuran-2-amine
CID 122462972
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
3-(3-dibenzofuran-4-ylphenyl)-1-phenyl-2,7-naphthyridine
CID 118491237
10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline
CID 166502709
10-dibenzofuran-4-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183399
7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174296972
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695

Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1]benzofuro[2,3-h]isoquinoline?
The IUPAC name of 6-bromo-[1]benzofuro[2,3-h]isoquinoline (CID 164837106) is 6-bromo-[1]benzofuro[2,3-h]isoquinoline.
What is the SMILES notation for 6-bromo-[1]benzofuro[2,3-h]isoquinoline?
The canonical SMILES for 6-bromo-[1]benzofuro[2,3-h]isoquinoline is Brc1cc2ccncc2c2c1oc1ccccc12.
What is the InChIKey of 6-bromo-[1]benzofuro[2,3-h]isoquinoline?
The InChIKey is GZPBDKBXQHTLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNO/c16-12-7-9-5-6-17-8-11(9)14-10-3-1-2-4-13(10)18-15(12)14/h1-8H.
What are the key properties of 6-bromo-[1]benzofuro[2,3-h]isoquinoline?
6-bromo-[1]benzofuro[2,3-h]isoquinoline has a molecular weight of 298.14 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1]benzofuro[2,3-h]isoquinoline is sourced from PubChem (CID 164837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).