3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione

C19H18IN3O4 — CID 5137683

IUPAC3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCC
InChIInChI=1S/C19H18IN3O4/c1-3-26-16-10-12(9-14(20)17(16)27-4-2)11-21-23-18(24)13-7-5-6-8-15(13)22-19(23)25/h5-11H,3-4H2,1-2H3,(H,22,25)
InChIKeySIBBLNJTXLAKPY-UHFFFAOYSA-N
MW479.27 g/mol
LogP2.97
Rot. Bonds6

About 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 5137683) has the molecular formula C19H18IN3O4 and a molecular weight of 479.27 g/mol. Its IUPAC name is 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID5137683
Molecular FormulaC19H18IN3O4
Molecular Weight479.27 g/mol
Exact Mass479.03
IUPAC Name3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCC
InChIInChI=1S/C19H18IN3O4/c1-3-26-16-10-12(9-14(20)17(16)27-4-2)11-21-23-18(24)13-7-5-6-8-15(13)22-19(23)25/h5-11H,3-4H2,1-2H3,(H,22,25)
InChIKeySIBBLNJTXLAKPY-UHFFFAOYSA-N
XLogP2.97
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3938367
3-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4563482
ethyl (2R)-2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-diiodophenoxy]propanoate
CID 126361531
3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126351723
3-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3652585
3-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135716703
3-[[3-bromo-4-[(2,4-dibromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126362378
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3293662
3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3950270
(2R)-2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-prop-2-enylphenoxy]propanoic acid
CID 126346962
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-diiodophenoxy]-N-(4-methylphenyl)acetamide
CID 126353779

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 5137683) is 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione is CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCC.
What is the InChIKey of 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is SIBBLNJTXLAKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O4/c1-3-26-16-10-12(9-14(20)17(16)27-4-2)11-21-23-18(24)13-7-5-6-8-15(13)22-19(23)25/h5-11H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 479.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 5137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).