2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione

C20H18N4O2 — CID 85469292

IUPAC2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(c2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1
InChIInChI=1S/C20H18N4O2/c1-22-8-10-23(11-9-22)13-6-7-16-15(12-13)20(26)24-17-5-3-2-4-14(17)18(25)19(24)21-16/h2-7,12H,8-11H2,1H3
InChIKeyXBHJNGFWXQBKPI-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.68
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione

2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 85469292) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
PubChem CID85469292
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(c2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1
InChIInChI=1S/C20H18N4O2/c1-22-8-10-23(11-9-22)13-6-7-16-15(12-13)20(26)24-17-5-3-2-4-14(17)18(25)19(24)21-16/h2-7,12H,8-11H2,1H3
InChIKeyXBHJNGFWXQBKPI-UHFFFAOYSA-N
XLogP1.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione (CID 85469292) is 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione is CN1CCN(c2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is XBHJNGFWXQBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-22-8-10-23(11-9-22)13-6-7-16-15(12-13)20(26)24-17-5-3-2-4-14(17)18(25)19(24)21-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione?
2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 346.39 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 85469292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).