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

C26H28N4O2 — CID 5308423

IUPAC2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C
InChIInChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)26(32)23-16-20-24(27(23)3)19-9-5-6-10-22(19)28(4)25(20)31/h5-11,16H,12-15H2,1-4H3
InChIKeyFAZQZTYABRGLSR-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.61
Rot. Bonds2

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

2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (PubChem CID 5308423) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
PubChem CID5308423
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C
InChIInChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)26(32)23-16-20-24(27(23)3)19-9-5-6-10-22(19)28(4)25(20)31/h5-11,16H,12-15H2,1-4H3
InChIKeyFAZQZTYABRGLSR-UHFFFAOYSA-N
XLogP3.61
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (CID 5308423) is 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The InChIKey is FAZQZTYABRGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)26(32)23-16-20-24(27(23)3)19-9-5-6-10-22(19)28(4)25(20)31/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one has a molecular weight of 428.54 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is sourced from PubChem (CID 5308423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).