3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione

C15H10IN3O3 — CID 3970196

IUPAC3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(O)c(I)c1
InChIInChI=1S/C15H10IN3O3/c16-11-7-9(5-6-13(11)20)8-17-19-14(21)10-3-1-2-4-12(10)18-15(19)22/h1-8,20H,(H,18,22)
InChIKeyCMBGIGHZLUOMFU-UHFFFAOYSA-N
MW407.17 g/mol
LogP1.88
Rot. Bonds2

About 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3970196) has the molecular formula C15H10IN3O3 and a molecular weight of 407.17 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3970196
Molecular FormulaC15H10IN3O3
Molecular Weight407.17 g/mol
Exact Mass406.98
IUPAC Name3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(O)c(I)c1
InChIInChI=1S/C15H10IN3O3/c16-11-7-9(5-6-13(11)20)8-17-19-14(21)10-3-1-2-4-12(10)18-15(19)22/h1-8,20H,(H,18,22)
InChIKeyCMBGIGHZLUOMFU-UHFFFAOYSA-N
XLogP1.88
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]propanoate
CID 126360680
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]-N-phenylacetamide
CID 126358160
3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5137683
ethyl (2R)-2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-diiodophenoxy]propanoate
CID 126361531
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]-N-(2-fluorophenyl)acetamide
CID 126353823
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-diiodophenoxy]-N-(4-methylphenyl)acetamide
CID 126353779
[2,6-dibromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenyl] acetate
CID 3932143
(2S)-2-[2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126348547
3-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135613701
3-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4285543
3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126351723
3-[(Z)-(2-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 136865838

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 3970196) is 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(O)c(I)c1.
What is the InChIKey of 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is CMBGIGHZLUOMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN3O3/c16-11-7-9(5-6-13(11)20)8-17-19-14(21)10-3-1-2-4-12(10)18-15(19)22/h1-8,20H,(H,18,22).
What are the key properties of 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 407.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3970196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).