N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide

C27H26N4O4 — CID 16812643

IUPACN-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc12)NCc1ccccc1
InChIInChI=1S/C27H26N4O4/c32-25(28-18-20-6-2-1-3-7-20)19-35-22-9-4-8-21-11-12-24(29-26(21)22)30-13-15-31(16-14-30)27(33)23-10-5-17-34-23/h1-12,17H,13-16,18-19H2,(H,28,32)
InChIKeyDCWCKZHLQFXRJA-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide

N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide (PubChem CID 16812643) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
PubChem CID16812643
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc12)NCc1ccccc1
InChIInChI=1S/C27H26N4O4/c32-25(28-18-20-6-2-1-3-7-20)19-35-22-9-4-8-21-11-12-24(29-26(21)22)30-13-15-31(16-14-30)27(33)23-10-5-17-34-23/h1-12,17H,13-16,18-19H2,(H,28,32)
InChIKeyDCWCKZHLQFXRJA-UHFFFAOYSA-N
XLogP3.49
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162650633
N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162652375
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112898656
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 3161569
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 53143954
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide (CID 16812643) is N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide is O=C(COc1cccc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide?
The InChIKey is DCWCKZHLQFXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c32-25(28-18-20-6-2-1-3-7-20)19-35-22-9-4-8-21-11-12-24(29-26(21)22)30-13-15-31(16-14-30)27(33)23-10-5-17-34-23/h1-12,17H,13-16,18-19H2,(H,28,32).
What are the key properties of N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide?
N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide has a molecular weight of 470.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide is sourced from PubChem (CID 16812643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).