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

C24H16ClN3O2 — CID 170772873

IUPAC7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione
SMILESCc1cc2c(=O)n(-c3cncc4ccccc34)c(=O)[nH]c2cc1-c1ccccc1Cl
InChIInChI=1S/C24H16ClN3O2/c1-14-10-19-21(11-18(14)17-8-4-5-9-20(17)25)27-24(30)28(23(19)29)22-13-26-12-15-6-2-3-7-16(15)22/h2-13H,1H3,(H,27,30)
InChIKeyWJKSUQSWDXKOOP-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.86
Rot. Bonds2

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

7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione (PubChem CID 170772873) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione
PubChem CID170772873
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione
SMILESCc1cc2c(=O)n(-c3cncc4ccccc34)c(=O)[nH]c2cc1-c1ccccc1Cl
InChIInChI=1S/C24H16ClN3O2/c1-14-10-19-21(11-18(14)17-8-4-5-9-20(17)25)27-24(30)28(23(19)29)22-13-26-12-15-6-2-3-7-16(15)22/h2-13H,1H3,(H,27,30)
InChIKeyWJKSUQSWDXKOOP-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-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione (CID 170772873) is 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione is Cc1cc2c(=O)n(-c3cncc4ccccc34)c(=O)[nH]c2cc1-c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione?
The InChIKey is WJKSUQSWDXKOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c1-14-10-19-21(11-18(14)17-8-4-5-9-20(17)25)27-24(30)28(23(19)29)22-13-26-12-15-6-2-3-7-16(15)22/h2-13H,1H3,(H,27,30).
What are the key properties of 7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione?
7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-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-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170772873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).