8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline

C58H32N10S — CID 141366383

IUPAC8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline

SMILESc1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c4c(-c5cnc6ccccc6n5)c(-c5ccc6cccnc6n5)nnc4c3-c3cc4ccccc4s3)ccc2c1

InChIInChI=1S/C58H32N10S/c1-5-17-38-33(12-1)27-29-59-54(38)51-48(43-25-23-34-13-2-6-18-39(34)63-43)50(47-30-36-14-4-10-22-46(36)69-47)56-52(53(51)58-62-31-37-15-3-7-19-40(37)65-58)49(45-32-61-41-20-8-9-21-42(41)64-45)55(67-68-56)44-26-24-35-16-11-28-60-57(35)66-44/h1-32H

InChIKeyUWWSYZRRHWHLIG-UHFFFAOYSA-N

MW901.03 g/mol

LogP13.77

Rot. Bonds6

About 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline

8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (PubChem CID 141366383) has the molecular formula C58H32N10S and a molecular weight of 901.03 g/mol. Its IUPAC name is 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.

Molecular Properties

Compound Name	8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline
PubChem CID	141366383
Molecular Formula	C58H32N10S
Molecular Weight	901.03 g/mol
Exact Mass	900.25
IUPAC Name	8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline
SMILES	c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c4c(-c5cnc6ccccc6n5)c(-c5ccc6cccnc6n5)nnc4c3-c3cc4ccccc4s3)ccc2c1
InChI	InChI=1S/C58H32N10S/c1-5-17-38-33(12-1)27-29-59-54(38)51-48(43-25-23-34-13-2-6-18-39(34)63-43)50(47-30-36-14-4-10-22-46(36)69-47)56-52(53(51)58-62-31-37-15-3-7-19-40(37)65-58)49(45-32-61-41-20-8-9-21-42(41)64-45)55(67-68-56)44-26-24-35-16-11-28-60-57(35)66-44/h1-32H
InChIKey	UWWSYZRRHWHLIG-UHFFFAOYSA-N
XLogP	13.77
TPSA	128.90 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	6
Heavy Atoms	69
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.03
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The IUPAC name of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (CID 141366383) is 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.

What is the SMILES notation for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The canonical SMILES for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c4c(-c5cnc6ccccc6n5)c(-c5ccc6cccnc6n5)nnc4c3-c3cc4ccccc4s3)ccc2c1.

What is the InChIKey of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The InChIKey is UWWSYZRRHWHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32N10S/c1-5-17-38-33(12-1)27-29-59-54(38)51-48(43-25-23-34-13-2-6-18-39(34)63-43)50(47-30-36-14-4-10-22-46(36)69-47)56-52(53(51)58-62-31-37-15-3-7-19-40(37)65-58)49(45-32-61-41-20-8-9-21-42(41)64-45)55(67-68-56)44-26-24-35-16-11-28-60-57(35)66-44/h1-32H.

What are the key properties of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline has a molecular weight of 901.03 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is sourced from PubChem (CID 141366383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).