3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one

C18H14FIN2O — CID 92919296

IUPAC3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
SMILESCCn1c(/C=C\c2ccc(F)cc2)nc2ccc(I)cc2c1=O
InChIInChI=1S/C18H14FIN2O/c1-2-22-17(10-5-12-3-6-13(19)7-4-12)21-16-9-8-14(20)11-15(16)18(22)23/h3-11H,2H2,1H3/b10-5-
InChIKeyYVHDDEHMJOOBBX-YHYXMXQVSA-N
MW420.23 g/mol
LogP4.33
Rot. Bonds3

About 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one

3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one (PubChem CID 92919296) has the molecular formula C18H14FIN2O and a molecular weight of 420.23 g/mol. Its IUPAC name is 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
PubChem CID92919296
Molecular FormulaC18H14FIN2O
Molecular Weight420.23 g/mol
Exact Mass420.01
IUPAC Name3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
SMILESCCn1c(/C=C\c2ccc(F)cc2)nc2ccc(I)cc2c1=O
InChIInChI=1S/C18H14FIN2O/c1-2-22-17(10-5-12-3-6-13(19)7-4-12)21-16-9-8-14(20)11-15(16)18(22)23/h3-11H,2H2,1H3/b10-5-
InChIKeyYVHDDEHMJOOBBX-YHYXMXQVSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-[2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 3274004
2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
CID 5209750
3-ethyl-6-iodo-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2965088
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
3-benzyl-2-[2-(1H-indol-3-yl)ethenyl]-6-iodoquinazolin-4-one
CID 3313252
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
3-(4-chlorophenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4-one
CID 135514065
4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 46901723

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one (CID 92919296) is 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one is CCn1c(/C=C\c2ccc(F)cc2)nc2ccc(I)cc2c1=O.
What is the InChIKey of 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one?
The InChIKey is YVHDDEHMJOOBBX-YHYXMXQVSA-N. The full InChI is InChI=1S/C18H14FIN2O/c1-2-22-17(10-5-12-3-6-13(19)7-4-12)21-16-9-8-14(20)11-15(16)18(22)23/h3-11H,2H2,1H3/b10-5-.
What are the key properties of 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one?
3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one has a molecular weight of 420.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one is sourced from PubChem (CID 92919296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).