6-[(2,5-dimethylphenyl)methyl]quinoline

C18H17N — CID 156905634

IUPAC6-[(2,5-dimethylphenyl)methyl]quinoline
SMILESCc1ccc(C)c(Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H17N/c1-13-5-6-14(2)17(10-13)12-15-7-8-18-16(11-15)4-3-9-19-18/h3-11H,12H2,1-2H3
InChIKeyZGOTVJBAMLJBFW-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.44
Rot. Bonds2

About 6-[(2,5-dimethylphenyl)methyl]quinoline

6-[(2,5-dimethylphenyl)methyl]quinoline (PubChem CID 156905634) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)methyl]quinoline.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)methyl]quinoline
PubChem CID156905634
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name6-[(2,5-dimethylphenyl)methyl]quinoline
SMILESCc1ccc(C)c(Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H17N/c1-13-5-6-14(2)17(10-13)12-15-7-8-18-16(11-15)4-3-9-19-18/h3-11H,12H2,1-2H3
InChIKeyZGOTVJBAMLJBFW-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
6-methylquinoline
CID 7059
2-(2,5-dimethylphenyl)-1-quinolin-6-ylethanamine
CID 63097558
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
iodoethane;6-methylquinoline
CID 160581758
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
4-methylpyridine;6-methylquinoline
CID 142243578
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylphenyl)methyl]quinoline?
The IUPAC name of 6-[(2,5-dimethylphenyl)methyl]quinoline (CID 156905634) is 6-[(2,5-dimethylphenyl)methyl]quinoline.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)methyl]quinoline?
The canonical SMILES for 6-[(2,5-dimethylphenyl)methyl]quinoline is Cc1ccc(C)c(Cc2ccc3ncccc3c2)c1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)methyl]quinoline?
The InChIKey is ZGOTVJBAMLJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-13-5-6-14(2)17(10-13)12-15-7-8-18-16(11-15)4-3-9-19-18/h3-11H,12H2,1-2H3.
What are the key properties of 6-[(2,5-dimethylphenyl)methyl]quinoline?
6-[(2,5-dimethylphenyl)methyl]quinoline has a molecular weight of 247.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)methyl]quinoline is sourced from PubChem (CID 156905634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).