2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide

C23H23N5O — CID 47055801

IUPAC2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
SMILESN#Cc1ccccc1N1CCCN(CC(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C23H23N5O/c24-16-18-6-1-2-10-22(18)28-13-5-12-27(14-15-28)17-23(29)26-21-9-3-8-20-19(21)7-4-11-25-20/h1-4,6-11H,5,12-15,17H2,(H,26,29)
InChIKeyDKDQCLUSUHEJBI-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide

2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide (PubChem CID 47055801) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
PubChem CID47055801
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
SMILESN#Cc1ccccc1N1CCCN(CC(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C23H23N5O/c24-16-18-6-1-2-10-22(18)28-13-5-12-27(14-15-28)17-23(29)26-21-9-3-8-20-19(21)7-4-11-25-20/h1-4,6-11H,5,12-15,17H2,(H,26,29)
InChIKeyDKDQCLUSUHEJBI-UHFFFAOYSA-N
XLogP3.26
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 60511172
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
CID 78896555
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
methyl 4-[[2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]benzoate
CID 60511148
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 94087208
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 51080693
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
CID 43038830
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 47055775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide (CID 47055801) is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide is N#Cc1ccccc1N1CCCN(CC(=O)Nc2cccc3ncccc23)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide?
The InChIKey is DKDQCLUSUHEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-16-18-6-1-2-10-22(18)28-13-5-12-27(14-15-28)17-23(29)26-21-9-3-8-20-19(21)7-4-11-25-20/h1-4,6-11H,5,12-15,17H2,(H,26,29).
What are the key properties of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide?
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide has a molecular weight of 385.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 47055801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).