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

C18H11IN2O4 — CID 505787

IUPACethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3ccc(I)cc3c(=O)n1-2
InChIInChI=1S/C18H11IN2O4/c1-2-25-18(24)9-3-6-14-12(7-9)15(22)16-20-13-5-4-10(19)8-11(13)17(23)21(14)16/h3-8H,2H2,1H3
InChIKeyQRCKKUIEOHLLMU-UHFFFAOYSA-N
MW446.20 g/mol
LogP2.71
Rot. Bonds2

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

ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (PubChem CID 505787) has the molecular formula C18H11IN2O4 and a molecular weight of 446.20 g/mol. Its IUPAC name is ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
PubChem CID505787
Molecular FormulaC18H11IN2O4
Molecular Weight446.20 g/mol
Exact Mass445.98
IUPAC Nameethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3ccc(I)cc3c(=O)n1-2
InChIInChI=1S/C18H11IN2O4/c1-2-25-18(24)9-3-6-14-12(7-9)15(22)16-20-13-5-4-10(19)8-11(13)17(23)21(14)16/h3-8H,2H2,1H3
InChIKeyQRCKKUIEOHLLMU-UHFFFAOYSA-N
XLogP2.71
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
CID 742737
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 2,4-diiodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505792
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (CID 505787) is ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is CCOC(=O)c1ccc2c(c1)C(=O)c1nc3ccc(I)cc3c(=O)n1-2.
What is the InChIKey of ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The InChIKey is QRCKKUIEOHLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IN2O4/c1-2-25-18(24)9-3-6-14-12(7-9)15(22)16-20-13-5-4-10(19)8-11(13)17(23)21(14)16/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate has a molecular weight of 446.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).