N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide

C17H10I2N4O2 — CID 3616564

IUPACN-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1cnc2c(I)cc(I)cc2c1=O
InChIInChI=1S/C17H10I2N4O2/c18-11-5-12-16(13(19)6-11)21-9-23(17(12)25)8-15(24)22-14-4-2-1-3-10(14)7-20/h1-6,9H,8H2,(H,22,24)
InChIKeyPGGMSGAZEPRFCQ-UHFFFAOYSA-N
MW556.10 g/mol
LogP3.12
Rot. Bonds3

About N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide

N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide (PubChem CID 3616564) has the molecular formula C17H10I2N4O2 and a molecular weight of 556.10 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
PubChem CID3616564
Molecular FormulaC17H10I2N4O2
Molecular Weight556.10 g/mol
Exact Mass555.89
IUPAC NameN-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1cnc2c(I)cc(I)cc2c1=O
InChIInChI=1S/C17H10I2N4O2/c18-11-5-12-16(13(19)6-11)21-9-23(17(12)25)8-15(24)22-14-4-2-1-3-10(14)7-20/h1-6,9H,8H2,(H,22,24)
InChIKeyPGGMSGAZEPRFCQ-UHFFFAOYSA-N
XLogP3.12
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.10
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide (CID 3616564) is N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide is N#Cc1ccccc1NC(=O)Cn1cnc2c(I)cc(I)cc2c1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PGGMSGAZEPRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10I2N4O2/c18-11-5-12-16(13(19)6-11)21-9-23(17(12)25)8-15(24)22-14-4-2-1-3-10(14)7-20/h1-6,9H,8H2,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide?
N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 556.10 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 3616564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).