N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

C25H27Cl2N3O2 — CID 19603305

IUPACN-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(COc2cccc3c(N4CCCCC4)cc(C)nc23)c1Cl
InChIInChI=1S/C25H27Cl2N3O2/c1-16-14-22(30-12-5-4-6-13-30)18-8-7-9-23(25(18)28-16)32-15-19-20(26)10-11-21(24(19)27)29(3)17(2)31/h7-11,14H,4-6,12-13,15H2,1-3H3
InChIKeyZBRQAZQAJITVGJ-UHFFFAOYSA-N
MW472.42 g/mol
LogP6.40
Rot. Bonds5

About N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 19603305) has the molecular formula C25H27Cl2N3O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID19603305
Molecular FormulaC25H27Cl2N3O2
Molecular Weight472.42 g/mol
Exact Mass471.15
IUPAC NameN-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(COc2cccc3c(N4CCCCC4)cc(C)nc23)c1Cl
InChIInChI=1S/C25H27Cl2N3O2/c1-16-14-22(30-12-5-4-6-13-30)18-8-7-9-23(25(18)28-16)32-15-19-20(26)10-11-21(24(19)27)29(3)17(2)31/h7-11,14H,4-6,12-13,15H2,1-3H3
InChIKeyZBRQAZQAJITVGJ-UHFFFAOYSA-N
XLogP6.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (CID 19603305) is N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)c(COc2cccc3c(N4CCCCC4)cc(C)nc23)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is ZBRQAZQAJITVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O2/c1-16-14-22(30-12-5-4-6-13-30)18-8-7-9-23(25(18)28-16)32-15-19-20(26)10-11-21(24(19)27)29(3)17(2)31/h7-11,14H,4-6,12-13,15H2,1-3H3.
What are the key properties of N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 472.42 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 19603305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).