7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole

C26H18ClNO3 — CID 166048682

IUPAC7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole
SMILESCOc1ccc2cccc(-n3c4oc5ccccc5c4c4c(OC)ccc(Cl)c43)c2c1
InChIInChI=1S/C26H18ClNO3/c1-29-16-11-10-15-6-5-8-20(18(15)14-16)28-25-19(27)12-13-22(30-2)24(25)23-17-7-3-4-9-21(17)31-26(23)28/h3-14H,1-2H3
InChIKeyADJPPMGYQZSYEJ-UHFFFAOYSA-N
MW427.89 g/mol
LogP7.35
Rot. Bonds3

About 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole

7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole (PubChem CID 166048682) has the molecular formula C26H18ClNO3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole
PubChem CID166048682
Molecular FormulaC26H18ClNO3
Molecular Weight427.89 g/mol
Exact Mass427.10
IUPAC Name7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole
SMILESCOc1ccc2cccc(-n3c4oc5ccccc5c4c4c(OC)ccc(Cl)c43)c2c1
InChIInChI=1S/C26H18ClNO3/c1-29-16-11-10-15-6-5-8-20(18(15)14-16)28-25-19(27)12-13-22(30-2)24(25)23-17-7-3-4-9-21(17)31-26(23)28/h3-14H,1-2H3
InChIKeyADJPPMGYQZSYEJ-UHFFFAOYSA-N
XLogP7.35
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole?
The IUPAC name of 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole (CID 166048682) is 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole is COc1ccc2cccc(-n3c4oc5ccccc5c4c4c(OC)ccc(Cl)c43)c2c1.
What is the InChIKey of 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole?
The InChIKey is ADJPPMGYQZSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO3/c1-29-16-11-10-15-6-5-8-20(18(15)14-16)28-25-19(27)12-13-22(30-2)24(25)23-17-7-3-4-9-21(17)31-26(23)28/h3-14H,1-2H3.
What are the key properties of 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole?
7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole has a molecular weight of 427.89 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-methoxy-6-(7-methoxynaphthalen-1-yl)-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 166048682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).