1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone

C24H18ClNO2 — CID 67549067

IUPAC1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2c(Oc3ccccc3)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClNO2/c1-15-22(16(2)27)23(17-11-13-18(25)14-12-17)20-9-6-10-21(24(20)26-15)28-19-7-4-3-5-8-19/h3-14H,1-2H3
InChIKeyPPUTYVANIZLSHF-UHFFFAOYSA-N
MW387.87 g/mol
LogP6.86
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone

1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone (PubChem CID 67549067) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone
PubChem CID67549067
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2c(Oc3ccccc3)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClNO2/c1-15-22(16(2)27)23(17-11-13-18(25)14-12-17)20-9-6-10-21(24(20)26-15)28-19-7-4-3-5-8-19/h3-14H,1-2H3
InChIKeyPPUTYVANIZLSHF-UHFFFAOYSA-N
XLogP6.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone (CID 67549067) is 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone is CC(=O)c1c(C)nc2c(Oc3ccccc3)cccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone?
The InChIKey is PPUTYVANIZLSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c1-15-22(16(2)27)23(17-11-13-18(25)14-12-17)20-9-6-10-21(24(20)26-15)28-19-7-4-3-5-8-19/h3-14H,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone?
1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone has a molecular weight of 387.87 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone is sourced from PubChem (CID 67549067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).