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

C21H20N4O2 — CID 122525709

IUPAC2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1
InChIInChI=1S/C21H20N4O2/c1-23-8-10-24(11-9-23)13-14-6-7-17-16(12-14)21(27)25-18-5-3-2-4-15(18)19(26)20(25)22-17/h2-7,12H,8-11,13H2,1H3
InChIKeySWZUEZDIXYKAGY-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.68
Rot. Bonds2

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

2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 122525709) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
PubChem CID122525709
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1
InChIInChI=1S/C21H20N4O2/c1-23-8-10-24(11-9-23)13-14-6-7-17-16(12-14)21(27)25-18-5-3-2-4-15(18)19(26)20(25)22-17/h2-7,12H,8-11,13H2,1H3
InChIKeySWZUEZDIXYKAGY-UHFFFAOYSA-N
XLogP1.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
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)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (CID 122525709) is 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is CN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is SWZUEZDIXYKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-23-8-10-24(11-9-23)13-14-6-7-17-16(12-14)21(27)25-18-5-3-2-4-15(18)19(26)20(25)22-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 360.42 g/mol, XLogP of 1.68, 2 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)methyl]indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 122525709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).