N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide

C27H25ClN4O2 — CID 16812632

IUPACN-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1cccc(Cl)c1
InChIInChI=1S/C27H25ClN4O2/c28-21-7-5-8-22(18-21)29-26(33)19-34-24-11-4-6-20-12-13-25(30-27(20)24)32-16-14-31(15-17-32)23-9-2-1-3-10-23/h1-13,18H,14-17,19H2,(H,29,33)
InChIKeyIXRTYKGOAOWGBI-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.23
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide

N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide (PubChem CID 16812632) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
PubChem CID16812632
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1cccc(Cl)c1
InChIInChI=1S/C27H25ClN4O2/c28-21-7-5-8-22(18-21)29-26(33)19-34-24-11-4-6-20-12-13-25(30-27(20)24)32-16-14-31(15-17-32)23-9-2-1-3-10-23/h1-13,18H,14-17,19H2,(H,29,33)
InChIKeyIXRTYKGOAOWGBI-UHFFFAOYSA-N
XLogP5.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide (CID 16812632) is N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide is O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The InChIKey is IXRTYKGOAOWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-21-7-5-8-22(18-21)29-26(33)19-34-24-11-4-6-20-12-13-25(30-27(20)24)32-16-14-31(15-17-32)23-9-2-1-3-10-23/h1-13,18H,14-17,19H2,(H,29,33).
What are the key properties of N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide has a molecular weight of 472.98 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide is sourced from PubChem (CID 16812632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).