3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline

C42H46N2 — CID 161333393

IUPAC3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline
SMILESCc1cc(C)c2cc(C)c(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1cc(C)c2cc(C)c(-c3cc(C)c(C)cc3C)nc2c1
InChIInChI=1S/2C21H23N/c1-12-7-15(4)19-11-16(5)21(22-20(19)8-12)18-9-13(2)17(6)14(3)10-18;1-12-7-15(4)18-11-17(6)21(22-20(18)8-12)19-10-14(3)13(2)9-16(19)5/h2*7-11H,1-6H3
InChIKeyVLSFGAKJPPMLNT-UHFFFAOYSA-N
MW578.84 g/mol
LogP11.50
Rot. Bonds2

About 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline

3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline (PubChem CID 161333393) has the molecular formula C42H46N2 and a molecular weight of 578.84 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline.

Molecular Properties

Compound Name3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline
PubChem CID161333393
Molecular FormulaC42H46N2
Molecular Weight578.84 g/mol
Exact Mass578.37
IUPAC Name3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline
SMILESCc1cc(C)c2cc(C)c(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1cc(C)c2cc(C)c(-c3cc(C)c(C)cc3C)nc2c1
InChIInChI=1S/2C21H23N/c1-12-7-15(4)19-11-16(5)21(22-20(19)8-12)18-9-13(2)17(6)14(3)10-18;1-12-7-15(4)18-11-17(6)21(22-20(18)8-12)19-10-14(3)13(2)9-16(19)5/h2*7-11H,1-6H3
InChIKeyVLSFGAKJPPMLNT-UHFFFAOYSA-N
XLogP11.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.84
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
3,5,7-trimethylquinolin-2-amine;hydrochloride
CID 43865999
2,5,7-trimethylquinoline
CID 17039661
3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
CID 157145365
2,4,6,7-tetramethylquinoline
CID 13148811
2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
CID 58871250
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;bis(1-(3,4-dimethylphenyl)-2,4-dimethylbenzene);4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5,7-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 158600639
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
3-ethyl-N,5,7-trimethylquinolin-2-amine
CID 63231542
CID 87310206
CID 87310206

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The IUPAC name of 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline (CID 161333393) is 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline.
What is the SMILES notation for 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The canonical SMILES for 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline is Cc1cc(C)c2cc(C)c(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1cc(C)c2cc(C)c(-c3cc(C)c(C)cc3C)nc2c1.
What is the InChIKey of 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The InChIKey is VLSFGAKJPPMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N/c1-12-7-15(4)19-11-16(5)21(22-20(19)8-12)18-9-13(2)17(6)14(3)10-18;1-12-7-15(4)18-11-17(6)21(22-20(18)8-12)19-10-14(3)13(2)9-16(19)5/h2*7-11H,1-6H3.
What are the key properties of 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline?
3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline has a molecular weight of 578.84 g/mol, XLogP of 11.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline is sourced from PubChem (CID 161333393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).