2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline

C19H19NO — CID 58871203

IUPAC2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline
SMILESCOc1ccc2nc(-c3ccc(C)cc3C)c(C)cc2c1
InChIInChI=1S/C19H19NO/c1-12-5-7-17(13(2)9-12)19-14(3)10-15-11-16(21-4)6-8-18(15)20-19/h5-11H,1-4H3
InChIKeyNVDUHMAHGOFPGT-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.84
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline

2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline (PubChem CID 58871203) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline
PubChem CID58871203
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline
SMILESCOc1ccc2nc(-c3ccc(C)cc3C)c(C)cc2c1
InChIInChI=1S/C19H19NO/c1-12-5-7-17(13(2)9-12)19-14(3)10-15-11-16(21-4)6-8-18(15)20-19/h5-11H,1-4H3
InChIKeyNVDUHMAHGOFPGT-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline?
The IUPAC name of 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline (CID 58871203) is 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline?
The canonical SMILES for 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline is COc1ccc2nc(-c3ccc(C)cc3C)c(C)cc2c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline?
The InChIKey is NVDUHMAHGOFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-5-7-17(13(2)9-12)19-14(3)10-15-11-16(21-4)6-8-18(15)20-19/h5-11H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline?
2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline has a molecular weight of 277.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline is sourced from PubChem (CID 58871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).