2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline

C24H19ClFNO — CID 170148982

IUPAC2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline
SMILESCCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClFNO/c1-3-28-19-8-4-16(5-9-19)17-6-10-20(22(25)13-17)24-12-15(2)21-14-18(26)7-11-23(21)27-24/h4-14H,3H2,1-2H3
InChIKeyYMVDDBRTTFTBSE-UHFFFAOYSA-N
MW391.87 g/mol
LogP7.07
Rot. Bonds4

About 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline

2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline (PubChem CID 170148982) has the molecular formula C24H19ClFNO and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline.

Molecular Properties

Compound Name2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline
PubChem CID170148982
Molecular FormulaC24H19ClFNO
Molecular Weight391.87 g/mol
Exact Mass391.11
IUPAC Name2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline
SMILESCCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClFNO/c1-3-28-19-8-4-16(5-9-19)17-6-10-20(22(25)13-17)24-12-15(2)21-14-18(26)7-11-23(21)27-24/h4-14H,3H2,1-2H3
InChIKeyYMVDDBRTTFTBSE-UHFFFAOYSA-N
XLogP7.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline?
The IUPAC name of 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline (CID 170148982) is 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline.
What is the SMILES notation for 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline?
The canonical SMILES for 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline is CCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(Cl)c2)cc1.
What is the InChIKey of 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline?
The InChIKey is YMVDDBRTTFTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO/c1-3-28-19-8-4-16(5-9-19)17-6-10-20(22(25)13-17)24-12-15(2)21-14-18(26)7-11-23(21)27-24/h4-14H,3H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline?
2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline has a molecular weight of 391.87 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-ethoxyphenyl)phenyl]-6-fluoro-4-methylquinoline is sourced from PubChem (CID 170148982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).