2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one

C23H24N4O — CID 11406138

IUPAC2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one
SMILESCN1CCN(c2nc3ccccc3c3c2CN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C23H24N4O/c1-25-11-13-26(14-12-25)22-19-16-27(15-17-7-3-2-4-8-17)23(28)21(19)18-9-5-6-10-20(18)24-22/h2-10H,11-16H2,1H3
InChIKeyBYJIHXTUHFPCPE-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.14
Rot. Bonds3

About 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one

2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one (PubChem CID 11406138) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one.

Molecular Properties

Compound Name2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one
PubChem CID11406138
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one
SMILESCN1CCN(c2nc3ccccc3c3c2CN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C23H24N4O/c1-25-11-13-26(14-12-25)22-19-16-27(15-17-7-3-2-4-8-17)23(28)21(19)18-9-5-6-10-20(18)24-22/h2-10H,11-16H2,1H3
InChIKeyBYJIHXTUHFPCPE-UHFFFAOYSA-N
XLogP3.14
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one?
The IUPAC name of 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one (CID 11406138) is 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one.
What is the SMILES notation for 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one?
The canonical SMILES for 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one is CN1CCN(c2nc3ccccc3c3c2CN(Cc2ccccc2)C3=O)CC1.
What is the InChIKey of 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one?
The InChIKey is BYJIHXTUHFPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-25-11-13-26(14-12-25)22-19-16-27(15-17-7-3-2-4-8-17)23(28)21(19)18-9-5-6-10-20(18)24-22/h2-10H,11-16H2,1H3.
What are the key properties of 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one?
2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one has a molecular weight of 372.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-methylpiperazin-1-yl)-3H-pyrrolo[3,4-c]quinolin-1-one is sourced from PubChem (CID 11406138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).