8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline

C16H10ClNO — CID 163959386

IUPAC8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
SMILESCc1ccc(Cl)c2oc3ccc4cnccc4c3c12
InChIInChI=1S/C16H10ClNO/c1-9-2-4-12(17)16-14(9)15-11-6-7-18-8-10(11)3-5-13(15)19-16/h2-8H,1H3
InChIKeySGERUSBDVGYJPH-UHFFFAOYSA-N
MW267.71 g/mol
LogP5.10
Rot. Bonds

About 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline

8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline (PubChem CID 163959386) has the molecular formula C16H10ClNO and a molecular weight of 267.71 g/mol. Its IUPAC name is 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline.

Molecular Properties

Compound Name8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
PubChem CID163959386
Molecular FormulaC16H10ClNO
Molecular Weight267.71 g/mol
Exact Mass267.05
IUPAC Name8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
SMILESCc1ccc(Cl)c2oc3ccc4cnccc4c3c12
InChIInChI=1S/C16H10ClNO/c1-9-2-4-12(17)16-14(9)15-11-6-7-18-8-10(11)3-5-13(15)19-16/h2-8H,1H3
InChIKeySGERUSBDVGYJPH-UHFFFAOYSA-N
XLogP5.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.71
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-bromo-7-chloro-[1]benzofuro[2,3-g]isoquinoline
CID 166502709
6-chloroisoquinolin-5-ol
CID 115015519
dioxeto[3,4-f]isoquinoline
CID 143457769
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
3,8-phenanthroline
CID 13064691
6-methylisoquinoline-5-carbonyl chloride
CID 125452017
2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
CID 82380182
6-chloroisoquinoline-5-carboxylic acid
CID 82574726
2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
CID 96601537
6-chloro-5-nitroisoquinoline
CID 19027803
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
6-bromo-5-chloroisoquinoline
CID 58433034

Frequently Asked Questions

What is the IUPAC name of 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline?
The IUPAC name of 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline (CID 163959386) is 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline.
What is the SMILES notation for 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline?
The canonical SMILES for 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline is Cc1ccc(Cl)c2oc3ccc4cnccc4c3c12.
What is the InChIKey of 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline?
The InChIKey is SGERUSBDVGYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO/c1-9-2-4-12(17)16-14(9)15-11-6-7-18-8-10(11)3-5-13(15)19-16/h2-8H,1H3.
What are the key properties of 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline?
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline has a molecular weight of 267.71 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline is sourced from PubChem (CID 163959386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).