1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone

C24H29N3O2 — CID 167312366

IUPAC1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCN1CCCN(C)CC1
InChIInChI=1S/C24H29N3O2/c1-17(28)19-5-7-23-21(15-19)22-16-20(18(2)29)6-8-24(22)27(23)14-13-26-10-4-9-25(3)11-12-26/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyZQACKQULYYZCQJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.84
Rot. Bonds5

About 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone

1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone (PubChem CID 167312366) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone
PubChem CID167312366
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCN1CCCN(C)CC1
InChIInChI=1S/C24H29N3O2/c1-17(28)19-5-7-23-21(15-19)22-16-20(18(2)29)6-8-24(22)27(23)14-13-26-10-4-9-25(3)11-12-26/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyZQACKQULYYZCQJ-UHFFFAOYSA-N
XLogP3.84
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone 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 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone?
The IUPAC name of 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone (CID 167312366) is 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone is CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCN1CCCN(C)CC1.
What is the InChIKey of 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone?
The InChIKey is ZQACKQULYYZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(28)19-5-7-23-21(15-19)22-16-20(18(2)29)6-8-24(22)27(23)14-13-26-10-4-9-25(3)11-12-26/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone?
1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone has a molecular weight of 391.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbazol-3-yl]ethanone is sourced from PubChem (CID 167312366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).