8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione

C20H17FN4O2 — CID 122525712

IUPAC8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCNCC3)cc1c2=O
InChIInChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
InChIKeyQAPKRPGAKVBFCQ-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.47
Rot. Bonds2

About 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione

8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 122525712) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
PubChem CID122525712
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCNCC3)cc1c2=O
InChIInChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
InChIKeyQAPKRPGAKVBFCQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione (CID 122525712) is 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCNCC3)cc1c2=O.
What is the InChIKey of 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is QAPKRPGAKVBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2.
What are the key properties of 8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione?
8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 364.38 g/mol, XLogP of 1.47, 2 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-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 122525712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).