7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione

C55H34Cl2N8O7S — CID 174320617

About 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione

7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione (PubChem CID 174320617) has the molecular formula C55H34Cl2N8O7S and a molecular weight of 1021.90 g/mol. Its IUPAC name is 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
• PubChem CID: 174320617
• Molecular Formula: C55H34Cl2N8O7S
• Molecular Weight: 1021.90 g/mol
• Exact Mass: 1020.16
• IUPAC Name: 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
• SMILES: O=c1[nH]c2cc(-c3c(Cl)cccc3OCc3coc(Cc4ncc(-n5c(=O)[nH]c6cc(-c7c(Cl)cccc7OCc7cscn7)ccc6c5=O)c5ccccc45)n3)ccc2c(=O)n1-c1cncc2ccccc12
• InChI: InChI=1S/C55H34Cl2N8O7S/c56-40-11-5-13-47(50(40)30-15-17-38-43(19-30)62-54(68)64(52(38)66)45-23-58-22-32-7-1-2-8-35(32)45)70-25-33-26-72-49(61-33)21-42-36-9-3-4-10-37(36)46(24-59-42)65-53(67)39-18-16-31(20-44(39)63-55(65)69)51-41(57)12-6-14-48(51)71-27-34-28-73-29-60-34/h1-20,22-24,26,28-29H,21,25,27H2,(H,62,68)(H,63,69)
• InChIKey: HWDBLUDFZUSYBI-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 192.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.90
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione?

The IUPAC name of 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione (CID 174320617) is 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione.

What is the SMILES notation for 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione?

The canonical SMILES for 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3c(Cl)cccc3OCc3coc(Cc4ncc(-n5c(=O)[nH]c6cc(-c7c(Cl)cccc7OCc7cscn7)ccc6c5=O)c5ccccc45)n3)ccc2c(=O)n1-c1cncc2ccccc12.

What is the InChIKey of 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione?

The InChIKey is HWDBLUDFZUSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34Cl2N8O7S/c56-40-11-5-13-47(50(40)30-15-17-38-43(19-30)62-54(68)64(52(38)66)45-23-58-22-32-7-1-2-8-35(32)45)70-25-33-26-72-49(61-33)21-42-36-9-3-4-10-37(36)46(24-59-42)65-53(67)39-18-16-31(20-44(39)63-55(65)69)51-41(57)12-6-14-48(51)71-27-34-28-73-29-60-34/h1-20,22-24,26,28-29H,21,25,27H2,(H,62,68)(H,63,69).

What are the key properties of 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione?

7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione has a molecular weight of 1021.90 g/mol, XLogP of 10.60, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-chloro-6-[[2-[[4-[7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-2,4-dioxo-1H-quinazolin-3-yl]isoquinolin-1-yl]methyl]-1,3-oxazol-4-yl]methoxy]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 174320617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).