4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide

C24H25N5O — CID 146403430

IUPAC4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCCN(c3ccnc4ccc(C#N)cc34)CC2)cc1
InChIInChI=1S/C24H25N5O/c1-27(2)24(30)19-5-7-20(8-6-19)28-12-3-13-29(15-14-28)23-10-11-26-22-9-4-18(17-25)16-21(22)23/h4-11,16H,3,12-15H2,1-2H3
InChIKeyYACHNZQGALHTFX-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.52
Rot. Bonds3

About 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide

4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide (PubChem CID 146403430) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide
PubChem CID146403430
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCCN(c3ccnc4ccc(C#N)cc34)CC2)cc1
InChIInChI=1S/C24H25N5O/c1-27(2)24(30)19-5-7-20(8-6-19)28-12-3-13-29(15-14-28)23-10-11-26-22-9-4-18(17-25)16-21(22)23/h4-11,16H,3,12-15H2,1-2H3
InChIKeyYACHNZQGALHTFX-UHFFFAOYSA-N
XLogP3.52
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide (CID 146403430) is 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CCCN(c3ccnc4ccc(C#N)cc34)CC2)cc1.
What is the InChIKey of 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide?
The InChIKey is YACHNZQGALHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-27(2)24(30)19-5-7-20(8-6-19)28-12-3-13-29(15-14-28)23-10-11-26-22-9-4-18(17-25)16-21(22)23/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide?
4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide has a molecular weight of 399.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyanoquinolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146403430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).