2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate

C19H14Cl3NO2 — CID 53321611

IUPAC2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate
SMILESCC(=O)OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl3NO2/c1-11(24)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)23-19(14)22/h2-7,10H,8-9H2,1H3
InChIKeyPUYGLYUSIWRKPL-UHFFFAOYSA-N
MW394.69 g/mol
LogP5.97
Rot. Bonds4

About 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate

2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate (PubChem CID 53321611) has the molecular formula C19H14Cl3NO2 and a molecular weight of 394.69 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate
PubChem CID53321611
Molecular FormulaC19H14Cl3NO2
Molecular Weight394.69 g/mol
Exact Mass393.01
IUPAC Name2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate
SMILESCC(=O)OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl3NO2/c1-11(24)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)23-19(14)22/h2-7,10H,8-9H2,1H3
InChIKeyPUYGLYUSIWRKPL-UHFFFAOYSA-N
XLogP5.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate?
The IUPAC name of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate (CID 53321611) is 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate.
What is the SMILES notation for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate?
The canonical SMILES for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate is CC(=O)OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate?
The InChIKey is PUYGLYUSIWRKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO2/c1-11(24)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)23-19(14)22/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate?
2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate has a molecular weight of 394.69 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethyl acetate is sourced from PubChem (CID 53321611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).