6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione

C21H23N5O2 — CID 10150446

IUPAC6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN1CCN(NCc2cc3c(c4c2C(=O)NC4=O)c2ccccc2n3C)CC1
InChIInChI=1S/C21H23N5O2/c1-24-7-9-26(10-8-24)22-12-13-11-16-18(19-17(13)20(27)23-21(19)28)14-5-3-4-6-15(14)25(16)2/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,27,28)
InChIKeySAFWBYWFDALEIV-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.47
Rot. Bonds3

About 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione

6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10150446) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10150446
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN1CCN(NCc2cc3c(c4c2C(=O)NC4=O)c2ccccc2n3C)CC1
InChIInChI=1S/C21H23N5O2/c1-24-7-9-26(10-8-24)22-12-13-11-16-18(19-17(13)20(27)23-21(19)28)14-5-3-4-6-15(14)25(16)2/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,27,28)
InChIKeySAFWBYWFDALEIV-UHFFFAOYSA-N
XLogP1.47
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione (CID 10150446) is 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione is CN1CCN(NCc2cc3c(c4c2C(=O)NC4=O)c2ccccc2n3C)CC1.
What is the InChIKey of 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is SAFWBYWFDALEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-7-9-26(10-8-24)22-12-13-11-16-18(19-17(13)20(27)23-21(19)28)14-5-3-4-6-15(14)25(16)2/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,27,28).
What are the key properties of 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione?
6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 377.45 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10150446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).