8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione

C19H15FN4O2 — CID 85469243

IUPAC8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(N3CCNCC3)cc1c2=O
InChIInChI=1S/C19H15FN4O2/c20-11-1-4-16-14(9-11)17(25)18-22-15-3-2-12(23-7-5-21-6-8-23)10-13(15)19(26)24(16)18/h1-4,9-10,21H,5-8H2
InChIKeyRPUURHIUQGSCQG-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.48
Rot. Bonds1

About 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione

8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 85469243) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione
PubChem CID85469243
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(N3CCNCC3)cc1c2=O
InChIInChI=1S/C19H15FN4O2/c20-11-1-4-16-14(9-11)17(25)18-22-15-3-2-12(23-7-5-21-6-8-23)10-13(15)19(26)24(16)18/h1-4,9-10,21H,5-8H2
InChIKeyRPUURHIUQGSCQG-UHFFFAOYSA-N
XLogP1.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione (CID 85469243) is 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(F)ccc2-n2c1nc1ccc(N3CCNCC3)cc1c2=O.
What is the InChIKey of 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is RPUURHIUQGSCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-11-1-4-16-14(9-11)17(25)18-22-15-3-2-12(23-7-5-21-6-8-23)10-13(15)19(26)24(16)18/h1-4,9-10,21H,5-8H2.
What are the key properties of 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione?
8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 350.35 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 85469243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).