2-(3,5-dimethylphenyl)-6,7-diethylquinoline

C21H23N — CID 140607988

IUPAC2-(3,5-dimethylphenyl)-6,7-diethylquinoline
SMILESCCc1cc2ccc(-c3cc(C)cc(C)c3)nc2cc1CC
InChIInChI=1S/C21H23N/c1-5-16-12-18-7-8-20(22-21(18)13-17(16)6-2)19-10-14(3)9-15(4)11-19/h7-13H,5-6H2,1-4H3
InChIKeyKCDNCAINKXNPAU-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.64
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-6,7-diethylquinoline

2-(3,5-dimethylphenyl)-6,7-diethylquinoline (PubChem CID 140607988) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6,7-diethylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6,7-diethylquinoline
PubChem CID140607988
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-(3,5-dimethylphenyl)-6,7-diethylquinoline
SMILESCCc1cc2ccc(-c3cc(C)cc(C)c3)nc2cc1CC
InChIInChI=1S/C21H23N/c1-5-16-12-18-7-8-20(22-21(18)13-17(16)6-2)19-10-14(3)9-15(4)11-19/h7-13H,5-6H2,1-4H3
InChIKeyKCDNCAINKXNPAU-UHFFFAOYSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,5-dimethylphenyl)quinolin-7-yl]-triethylgermane
CID 140592731
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2-(3,5-dimethylphenyl)-6-methoxyquinoline
CID 58871188
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
CID 59288750
2-(3,5-dimethylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinoline
CID 138464235
2-(3,5-dimethylphenyl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]quinoline
CID 121437208
6-cyclohexyl-2-(3,5-dimethylphenyl)quinoline
CID 138464247
[2-(3,5-dimethylphenyl)-5-trimethylgermylquinolin-7-yl]-trimethylgermane
CID 140607934

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6,7-diethylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6,7-diethylquinoline (CID 140607988) is 2-(3,5-dimethylphenyl)-6,7-diethylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6,7-diethylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6,7-diethylquinoline is CCc1cc2ccc(-c3cc(C)cc(C)c3)nc2cc1CC.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6,7-diethylquinoline?
The InChIKey is KCDNCAINKXNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-5-16-12-18-7-8-20(22-21(18)13-17(16)6-2)19-10-14(3)9-15(4)11-19/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6,7-diethylquinoline?
2-(3,5-dimethylphenyl)-6,7-diethylquinoline has a molecular weight of 289.42 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6,7-diethylquinoline is sourced from PubChem (CID 140607988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).