2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide

C24H28N4O — CID 87019726

IUPAC2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCCN(c2ccccc2)CC1)NCCc1cccc2cccnc12
InChIInChI=1S/C24H28N4O/c29-23(25-14-12-21-8-4-7-20-9-5-13-26-24(20)21)19-27-15-6-16-28(18-17-27)22-10-2-1-3-11-22/h1-5,7-11,13H,6,12,14-19H2,(H,25,29)
InChIKeyKIPSFURCEANNMF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide

2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 87019726) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID87019726
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCCN(c2ccccc2)CC1)NCCc1cccc2cccnc12
InChIInChI=1S/C24H28N4O/c29-23(25-14-12-21-8-4-7-20-9-5-13-26-24(20)21)19-27-15-6-16-28(18-17-27)22-10-2-1-3-11-22/h1-5,7-11,13H,6,12,14-19H2,(H,25,29)
InChIKeyKIPSFURCEANNMF-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86894891
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
CID 75404078
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 46434974
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide (CID 87019726) is 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide is O=C(CN1CCCN(c2ccccc2)CC1)NCCc1cccc2cccnc12.
What is the InChIKey of 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is KIPSFURCEANNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-23(25-14-12-21-8-4-7-20-9-5-13-26-24(20)21)19-27-15-6-16-28(18-17-27)22-10-2-1-3-11-22/h1-5,7-11,13H,6,12,14-19H2,(H,25,29).
What are the key properties of 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 87019726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).