2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone

C25H18ClNO3 — CID 16585350

IUPAC2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
SMILESCC(=O)c1c(OCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C25H18ClNO3/c1-16(28)23-24(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)27-25(23)30-15-22(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyXDVBIFCSTQNKOY-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.02
Rot. Bonds6

About 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone

2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone (PubChem CID 16585350) has the molecular formula C25H18ClNO3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone.

Molecular Properties

Compound Name2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
PubChem CID16585350
Molecular FormulaC25H18ClNO3
Molecular Weight415.88 g/mol
Exact Mass415.10
IUPAC Name2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
SMILESCC(=O)c1c(OCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C25H18ClNO3/c1-16(28)23-24(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)27-25(23)30-15-22(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyXDVBIFCSTQNKOY-UHFFFAOYSA-N
XLogP6.02
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone?
The IUPAC name of 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone (CID 16585350) is 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone.
What is the SMILES notation for 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone?
The canonical SMILES for 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone is CC(=O)c1c(OCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone?
The InChIKey is XDVBIFCSTQNKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c1-16(28)23-24(18-10-6-3-7-11-18)20-14-19(26)12-13-21(20)27-25(23)30-15-22(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3.
What are the key properties of 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone?
2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone has a molecular weight of 415.88 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone is sourced from PubChem (CID 16585350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).