6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline

C20H21NO — CID 58329222

IUPAC6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
SMILESCOc1cc(C(C)c2ccc3ncccc3c2)cc(C)c1C
InChIInChI=1S/C20H21NO/c1-13-10-18(12-20(22-4)14(13)2)15(3)16-7-8-19-17(11-16)6-5-9-21-19/h5-12,15H,1-4H3
InChIKeyJYMFIXWDHPAHGK-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.01
Rot. Bonds3

About 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline

6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline (PubChem CID 58329222) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline.

Molecular Properties

Compound Name6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
PubChem CID58329222
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
SMILESCOc1cc(C(C)c2ccc3ncccc3c2)cc(C)c1C
InChIInChI=1S/C20H21NO/c1-13-10-18(12-20(22-4)14(13)2)15(3)16-7-8-19-17(11-16)6-5-9-21-19/h5-12,15H,1-4H3
InChIKeyJYMFIXWDHPAHGK-UHFFFAOYSA-N
XLogP5.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
CID 172878085
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
7-bromo-6-methoxyquinoline
CID 14566897
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline?
The IUPAC name of 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline (CID 58329222) is 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline.
What is the SMILES notation for 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline?
The canonical SMILES for 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline is COc1cc(C(C)c2ccc3ncccc3c2)cc(C)c1C.
What is the InChIKey of 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline?
The InChIKey is JYMFIXWDHPAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-13-10-18(12-20(22-4)14(13)2)15(3)16-7-8-19-17(11-16)6-5-9-21-19/h5-12,15H,1-4H3.
What are the key properties of 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline?
6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline has a molecular weight of 291.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline is sourced from PubChem (CID 58329222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).