ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

C18H10I2N2O4 — CID 505792

IUPACethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(I)cc(I)cc3c(=O)n1-2
InChIInChI=1S/C18H10I2N2O4/c1-2-26-18(25)8-3-4-13-10(5-8)15(23)16-21-14-11(17(24)22(13)16)6-9(19)7-12(14)20/h3-7H,2H2,1H3
InChIKeyCWYWRUWQOZHONR-UHFFFAOYSA-N
MW572.10 g/mol
LogP3.32
Rot. Bonds2

About ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (PubChem CID 505792) has the molecular formula C18H10I2N2O4 and a molecular weight of 572.10 g/mol. Its IUPAC name is ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
PubChem CID505792
Molecular FormulaC18H10I2N2O4
Molecular Weight572.10 g/mol
Exact Mass571.87
IUPAC Nameethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(I)cc(I)cc3c(=O)n1-2
InChIInChI=1S/C18H10I2N2O4/c1-2-26-18(25)8-3-4-13-10(5-8)15(23)16-21-14-11(17(24)22(13)16)6-9(19)7-12(14)20/h3-7H,2H2,1H3
InChIKeyCWYWRUWQOZHONR-UHFFFAOYSA-N
XLogP3.32
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.10
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-oxo-2-propylquinazolin-3(4H)-yl)benzoate
CID 2190027
ethyl (E)-3-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)prop-2-enoate
CID 156021414
Ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 478657
ethyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
CID 744635
Ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505804
Methyl 1-benzyl-2,3-dioxo-indoline-5-carboxylate
CID 11493090
Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
CID 948855
Ethyl 2-iodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505787
Benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505799
1-Methylheptyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505802
1-Methylheptyl 4-methoxy-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505808
Synthesis of methyl 8-fluoro-6,12-dioxo-6,12-dihydroindolo[2,1-b]quinazoline-2-carboxylate
CID 169263742

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (CID 505792) is ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is CCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(I)cc(I)cc3c(=O)n1-2.
What is the InChIKey of ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The InChIKey is CWYWRUWQOZHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10I2N2O4/c1-2-26-18(25)8-3-4-13-10(5-8)15(23)16-21-14-11(17(24)22(13)16)6-9(19)7-12(14)20/h3-7H,2H2,1H3.
What are the key properties of ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate has a molecular weight of 572.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 505792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).