6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one

C20H12I2N2O2 — CID 4237533

IUPAC6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2c(I)cc(I)cc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H12I2N2O2/c21-15-8-16-19(17(22)9-15)23-11-24(20(16)26)10-18(25)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,11H,10H2
InChIKeyOURGZHCIHFQTPW-UHFFFAOYSA-N
MW566.14 g/mol
LogP4.64
Rot. Bonds3

About 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one

6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one (PubChem CID 4237533) has the molecular formula C20H12I2N2O2 and a molecular weight of 566.14 g/mol. Its IUPAC name is 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one.

Molecular Properties

Compound Name6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
PubChem CID4237533
Molecular FormulaC20H12I2N2O2
Molecular Weight566.14 g/mol
Exact Mass565.90
IUPAC Name6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2c(I)cc(I)cc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H12I2N2O2/c21-15-8-16-19(17(22)9-15)23-11-24(20(16)26)10-18(25)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,11H,10H2
InChIKeyOURGZHCIHFQTPW-UHFFFAOYSA-N
XLogP4.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.14
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
CID 3616564
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7628697
6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
CID 7875352
6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 4132185
4-(2-naphthalen-2-yl-2-oxoethyl)imidazo[1,5-a]quinazolin-5-one
CID 145361690
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359
4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]benzonitrile
CID 44723468
6-bromo-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]quinazolin-4-one
CID 38834090
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758

Frequently Asked Questions

What is the IUPAC name of 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The IUPAC name of 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one (CID 4237533) is 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one.
What is the SMILES notation for 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The canonical SMILES for 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one is O=C(Cn1cnc2c(I)cc(I)cc2c1=O)c1ccc2ccccc2c1.
What is the InChIKey of 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The InChIKey is OURGZHCIHFQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12I2N2O2/c21-15-8-16-19(17(22)9-15)23-11-24(20(16)26)10-18(25)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,11H,10H2.
What are the key properties of 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one has a molecular weight of 566.14 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one is sourced from PubChem (CID 4237533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).