2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one

C25H26N4O3 — CID 5308882

IUPAC2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C25H26N4O3/c1-26-21(16-18-23(26)17-8-4-5-9-19(17)27(2)24(18)30)25(31)29-14-12-28(13-15-29)20-10-6-7-11-22(20)32-3/h4-11,16H,12-15H2,1-3H3
InChIKeyFPMHUELFCMTUJR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (PubChem CID 5308882) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
PubChem CID5308882
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C25H26N4O3/c1-26-21(16-18-23(26)17-8-4-5-9-19(17)27(2)24(18)30)25(31)29-14-12-28(13-15-29)20-10-6-7-11-22(20)32-3/h4-11,16H,12-15H2,1-3H3
InChIKeyFPMHUELFCMTUJR-UHFFFAOYSA-N
XLogP3.00
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one 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 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (CID 5308882) is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The InChIKey is FPMHUELFCMTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-26-21(16-18-23(26)17-8-4-5-9-19(17)27(2)24(18)30)25(31)29-14-12-28(13-15-29)20-10-6-7-11-22(20)32-3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one has a molecular weight of 430.51 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is sourced from PubChem (CID 5308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).