2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline

C20H21N — CID 59348536

IUPAC2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
SMILESCc1cc(C)cc(-c2nc3ccc(C)cc3c(C)c2C)c1
InChIInChI=1S/C20H21N/c1-12-6-7-19-18(11-12)15(4)16(5)20(21-19)17-9-13(2)8-14(3)10-17/h6-11H,1-5H3
InChIKeyACMANDCXRFFEAK-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.44
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline

2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline (PubChem CID 59348536) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
PubChem CID59348536
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
SMILESCc1cc(C)cc(-c2nc3ccc(C)cc3c(C)c2C)c1
InChIInChI=1S/C20H21N/c1-12-6-7-19-18(11-12)15(4)16(5)20(21-19)17-9-13(2)8-14(3)10-17/h6-11H,1-5H3
InChIKeyACMANDCXRFFEAK-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
N-ethyl-3,6-dimethyl-2-phenylquinolin-4-amine
CID 104846971
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
CID 167260845
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
2,9-dimethylbenzo[c]cinnoline
CID 14472808
(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
CID 130405382
4,6-dimethyl-2-methylsulfanylquinoline
CID 11499416
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline (CID 59348536) is 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline is Cc1cc(C)cc(-c2nc3ccc(C)cc3c(C)c2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline?
The InChIKey is ACMANDCXRFFEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-12-6-7-19-18(11-12)15(4)16(5)20(21-19)17-9-13(2)8-14(3)10-17/h6-11H,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline?
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline has a molecular weight of 275.39 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline is sourced from PubChem (CID 59348536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).