6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline

C24H18BrClFNO — CID 25254161

IUPAC6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H18BrClFNO/c1-14-23(15(2)29-20-10-6-18(26)7-11-20)24(16-3-8-19(27)9-4-16)21-13-17(25)5-12-22(21)28-14/h3-13,15H,1-2H3
InChIKeyLYUDFTSDCLQXFZ-UHFFFAOYSA-N
MW470.77 g/mol
LogP7.91
Rot. Bonds4

About 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline

6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline (PubChem CID 25254161) has the molecular formula C24H18BrClFNO and a molecular weight of 470.77 g/mol. Its IUPAC name is 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline
PubChem CID25254161
Molecular FormulaC24H18BrClFNO
Molecular Weight470.77 g/mol
Exact Mass469.02
IUPAC Name6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H18BrClFNO/c1-14-23(15(2)29-20-10-6-18(26)7-11-20)24(16-3-8-19(27)9-4-16)21-13-17(25)5-12-22(21)28-14/h3-13,15H,1-2H3
InChIKeyLYUDFTSDCLQXFZ-UHFFFAOYSA-N
XLogP7.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 633685
CID 633685
CID 16077297
CID 16077297
CID 127029785
CID 127029785
CID 134149458
CID 134149458
CID 145971476
CID 145971476
CID 155561821
CID 155561821
CID 168296012
CID 168296012
CID 139213833
CID 139213833
CID 2798797
CID 2798797
CID 153531636
CID 153531636
CID 11667032
CID 11667032
CID 627784
CID 627784

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline?
The IUPAC name of 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline (CID 25254161) is 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline.
What is the SMILES notation for 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline?
The canonical SMILES for 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline is Cc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline?
The InChIKey is LYUDFTSDCLQXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClFNO/c1-14-23(15(2)29-20-10-6-18(26)7-11-20)24(16-3-8-19(27)9-4-16)21-13-17(25)5-12-22(21)28-14/h3-13,15H,1-2H3.
What are the key properties of 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline?
6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline has a molecular weight of 470.77 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[1-(4-chlorophenoxy)ethyl]-4-(4-fluorophenyl)-2-methylquinoline is sourced from PubChem (CID 25254161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).