7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione

C24H16ClN3O2 — CID 170773275

IUPAC7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2cncc(-n3c(=O)[nH]c4cc(-c5ccccc5Cl)ccc4c3=O)c2c1
InChIInChI=1S/C24H16ClN3O2/c1-14-6-7-16-12-26-13-22(19(16)10-14)28-23(29)18-9-8-15(11-21(18)27-24(28)30)17-4-2-3-5-20(17)25/h2-13H,1H3,(H,27,30)
InChIKeyHAGBUHZKDGZNDB-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.86
Rot. Bonds2

About 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione

7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 170773275) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione
PubChem CID170773275
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2cncc(-n3c(=O)[nH]c4cc(-c5ccccc5Cl)ccc4c3=O)c2c1
InChIInChI=1S/C24H16ClN3O2/c1-14-6-7-16-12-26-13-22(19(16)10-14)28-23(29)18-9-8-15(11-21(18)27-24(28)30)17-4-2-3-5-20(17)25/h2-13H,1H3,(H,27,30)
InChIKeyHAGBUHZKDGZNDB-UHFFFAOYSA-N
XLogP4.86
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione (CID 170773275) is 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione is Cc1ccc2cncc(-n3c(=O)[nH]c4cc(-c5ccccc5Cl)ccc4c3=O)c2c1.
What is the InChIKey of 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is HAGBUHZKDGZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c1-14-6-7-16-12-26-13-22(19(16)10-14)28-23(29)18-9-8-15(11-21(18)27-24(28)30)17-4-2-3-5-20(17)25/h2-13H,1H3,(H,27,30).
What are the key properties of 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione?
7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 413.86 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170773275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).