2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

C24H25N5O2 — CID 86894891

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3o2)CC1)NCCc1cccc2cccnc12
InChIInChI=1S/C24H25N5O2/c30-22(25-12-10-19-6-3-5-18-7-4-11-26-23(18)19)17-28-13-15-29(16-14-28)24-27-20-8-1-2-9-21(20)31-24/h1-9,11H,10,12-17H2,(H,25,30)
InChIKeyYPHVBTBIHKEKMK-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 86894891) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID86894891
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3o2)CC1)NCCc1cccc2cccnc12
InChIInChI=1S/C24H25N5O2/c30-22(25-12-10-19-6-3-5-18-7-4-11-26-23(18)19)17-28-13-15-29(16-14-28)24-27-20-8-1-2-9-21(20)31-24/h1-9,11H,10,12-17H2,(H,25,30)
InChIKeyYPHVBTBIHKEKMK-UHFFFAOYSA-N
XLogP2.86
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
CID 86881963
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
CID 75404078
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 46434974

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (CID 86894891) is 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is O=C(CN1CCN(c2nc3ccccc3o2)CC1)NCCc1cccc2cccnc12.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is YPHVBTBIHKEKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-22(25-12-10-19-6-3-5-18-7-4-11-26-23(18)19)17-28-13-15-29(16-14-28)24-27-20-8-1-2-9-21(20)31-24/h1-9,11H,10,12-17H2,(H,25,30).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 415.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 86894891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).