methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate

C17H9FN2O4 — CID 169263742

IUPACmethyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C17H9FN2O4/c1-24-17(23)8-2-4-12-10(6-8)16(22)20-13-5-3-9(18)7-11(13)14(21)15(20)19-12/h2-7H,1H3
InChIKeyVPBSMVHXMDPEIW-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.86
Rot. Bonds1

About methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate

methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate (PubChem CID 169263742) has the molecular formula C17H9FN2O4 and a molecular weight of 324.27 g/mol. Its IUPAC name is methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate
PubChem CID169263742
Molecular FormulaC17H9FN2O4
Molecular Weight324.27 g/mol
Exact Mass324.05
IUPAC Namemethyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C17H9FN2O4/c1-24-17(23)8-2-4-12-10(6-8)16(22)20-13-5-3-9(18)7-11(13)14(21)15(20)19-12/h2-7H,1H3
InChIKeyVPBSMVHXMDPEIW-UHFFFAOYSA-N
XLogP1.86
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate?
The IUPAC name of methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate (CID 169263742) is methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate is COC(=O)c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O.
What is the InChIKey of methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate?
The InChIKey is VPBSMVHXMDPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O4/c1-24-17(23)8-2-4-12-10(6-8)16(22)20-13-5-3-9(18)7-11(13)14(21)15(20)19-12/h2-7H,1H3.
What are the key properties of methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate?
methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate has a molecular weight of 324.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-6,12-dioxoindolo[2,1-b]quinazoline-2-carboxylate is sourced from PubChem (CID 169263742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).