6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline

C22H24ClNO — CID 2796772

IUPAC6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
SMILESCc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H24ClNO/c1-12-9-22(19-10-18(23)7-8-21(19)24-12)25-11-20-16(5)14(3)13(2)15(4)17(20)6/h7-10H,11H2,1-6H3
InChIKeySEZNBZPBPNAMGI-UHFFFAOYSA-N
MW353.89 g/mol
LogP6.32
Rot. Bonds3

About 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline

6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline (PubChem CID 2796772) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
PubChem CID2796772
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
SMILESCc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H24ClNO/c1-12-9-22(19-10-18(23)7-8-21(19)24-12)25-11-20-16(5)14(3)13(2)15(4)17(20)6/h7-10H,11H2,1-6H3
InChIKeySEZNBZPBPNAMGI-UHFFFAOYSA-N
XLogP6.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The IUPAC name of 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline (CID 2796772) is 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline.
What is the SMILES notation for 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The canonical SMILES for 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline is Cc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The InChIKey is SEZNBZPBPNAMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO/c1-12-9-22(19-10-18(23)7-8-21(19)24-12)25-11-20-16(5)14(3)13(2)15(4)17(20)6/h7-10H,11H2,1-6H3.
What are the key properties of 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline has a molecular weight of 353.89 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline is sourced from PubChem (CID 2796772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).