N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide

C18H12Cl2N4O3 — CID 73296794

IUPACN-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3ncoc3c2)c2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C18H12Cl2N4O3/c1-24-18(26)11-6-13(20)12(19)5-10(11)15(23-24)7-17(25)22-9-2-3-14-16(4-9)27-8-21-14/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeySNRFZOZRYBGADU-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.56
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide

N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 73296794) has the molecular formula C18H12Cl2N4O3 and a molecular weight of 403.23 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID73296794
Molecular FormulaC18H12Cl2N4O3
Molecular Weight403.23 g/mol
Exact Mass402.03
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3ncoc3c2)c2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C18H12Cl2N4O3/c1-24-18(26)11-6-13(20)12(19)5-10(11)15(23-24)7-17(25)22-9-2-3-14-16(4-9)27-8-21-14/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeySNRFZOZRYBGADU-UHFFFAOYSA-N
XLogP3.56
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide (CID 73296794) is N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3ncoc3c2)c2cc(Cl)c(Cl)cc2c1=O.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is SNRFZOZRYBGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O3/c1-24-18(26)11-6-13(20)12(19)5-10(11)15(23-24)7-17(25)22-9-2-3-14-16(4-9)27-8-21-14/h2-6,8H,7H2,1H3,(H,22,25).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 403.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-(6,7-dichloro-3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 73296794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).