2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide

C23H24N4O3 — CID 3763026

IUPAC2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCN(C(=O)c2ccc3cccc(O)c3n2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-20-9-4-6-17-10-11-19(25-22(17)20)23(30)27-13-5-12-26(14-15-27)16-21(29)24-18-7-2-1-3-8-18/h1-4,6-11,28H,5,12-16H2,(H,24,29)
InChIKeyWEEDWGSDMWRPKW-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide

2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide (PubChem CID 3763026) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
PubChem CID3763026
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCN(C(=O)c2ccc3cccc(O)c3n2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-20-9-4-6-17-10-11-19(25-22(17)20)23(30)27-13-5-12-26(14-15-27)16-21(29)24-18-7-2-1-3-8-18/h1-4,6-11,28H,5,12-16H2,(H,24,29)
InChIKeyWEEDWGSDMWRPKW-UHFFFAOYSA-N
XLogP2.73
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(8-hydroxyquinolin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3867592
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
CID 74229259
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
2-[4-(quinoline-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852434
N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide
CID 3779987
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31252685
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide (CID 3763026) is 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide is O=C(CN1CCCN(C(=O)c2ccc3cccc(O)c3n2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide?
The InChIKey is WEEDWGSDMWRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20-9-4-6-17-10-11-19(25-22(17)20)23(30)27-13-5-12-26(14-15-27)16-21(29)24-18-7-2-1-3-8-18/h1-4,6-11,28H,5,12-16H2,(H,24,29).
What are the key properties of 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide?
2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide has a molecular weight of 404.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide is sourced from PubChem (CID 3763026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).