8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline

C23H25Cl2NO — CID 4213603

IUPAC8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3c(C)cc(C(C)(C)C)cc3C)c2n1
InChIInChI=1S/C23H25Cl2NO/c1-13-9-16(23(4,5)6)10-14(2)18(13)12-27-22-20(25)11-19(24)17-8-7-15(3)26-21(17)22/h7-11H,12H2,1-6H3
InChIKeyUAQKPEUBTQVXGN-UHFFFAOYSA-N
MW402.37 g/mol
LogP7.34
Rot. Bonds3

About 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline

8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline (PubChem CID 4213603) has the molecular formula C23H25Cl2NO and a molecular weight of 402.37 g/mol. Its IUPAC name is 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline.

Molecular Properties

Compound Name8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline
PubChem CID4213603
Molecular FormulaC23H25Cl2NO
Molecular Weight402.37 g/mol
Exact Mass401.13
IUPAC Name8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3c(C)cc(C(C)(C)C)cc3C)c2n1
InChIInChI=1S/C23H25Cl2NO/c1-13-9-16(23(4,5)6)10-14(2)18(13)12-27-22-20(25)11-19(24)17-8-7-15(3)26-21(17)22/h7-11H,12H2,1-6H3
InChIKeyUAQKPEUBTQVXGN-UHFFFAOYSA-N
XLogP7.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline?
The IUPAC name of 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline (CID 4213603) is 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline.
What is the SMILES notation for 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline?
The canonical SMILES for 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline is Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)cc(C(C)(C)C)cc3C)c2n1.
What is the InChIKey of 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline?
The InChIKey is UAQKPEUBTQVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO/c1-13-9-16(23(4,5)6)10-14(2)18(13)12-27-22-20(25)11-19(24)17-8-7-15(3)26-21(17)22/h7-11H,12H2,1-6H3.
What are the key properties of 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline?
8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline has a molecular weight of 402.37 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline is sourced from PubChem (CID 4213603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).