2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline

C25H23NO — CID 143088699

IUPAC2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
SMILESCOc1cccc(-c2cc(CCc3ccc(C)cc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23NO/c1-18-10-12-19(13-11-18)14-15-20-17-25(21-6-5-7-22(16-21)27-2)26-24-9-4-3-8-23(20)24/h3-13,16-17H,14-15H2,1-2H3
InChIKeyZAJFJBVWORWBCU-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.00
Rot. Bonds5

About 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline

2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline (PubChem CID 143088699) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
PubChem CID143088699
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
SMILESCOc1cccc(-c2cc(CCc3ccc(C)cc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23NO/c1-18-10-12-19(13-11-18)14-15-20-17-25(21-6-5-7-22(16-21)27-2)26-24-9-4-3-8-23(20)24/h3-13,16-17H,14-15H2,1-2H3
InChIKeyZAJFJBVWORWBCU-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate
CID 4745250
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline?
The IUPAC name of 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline (CID 143088699) is 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline is COc1cccc(-c2cc(CCc3ccc(C)cc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline?
The InChIKey is ZAJFJBVWORWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-18-10-12-19(13-11-18)14-15-20-17-25(21-6-5-7-22(16-21)27-2)26-24-9-4-3-8-23(20)24/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline?
2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline has a molecular weight of 353.47 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline is sourced from PubChem (CID 143088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).