2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline

C20H21NO2 — CID 90459307

IUPAC2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCOc1ccc(-c2cc(OC(C)(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)23-19-13-18(14-9-11-15(22-4)12-10-14)21-17-8-6-5-7-16(17)19/h5-13H,1-4H3
InChIKeyHJPJVIWCSUKNDZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP5.09
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline

2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline (PubChem CID 90459307) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
PubChem CID90459307
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCOc1ccc(-c2cc(OC(C)(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)23-19-13-18(14-9-11-15(22-4)12-10-14)21-17-8-6-5-7-16(17)19/h5-13H,1-4H3
InChIKeyHJPJVIWCSUKNDZ-UHFFFAOYSA-N
XLogP5.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
4-methoxy-2-(4-propoxyphenyl)quinoline
CID 53466443
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
4-tert-butyl-7-methoxy-2-phenylquinoline
CID 59716951
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
4-ethoxy-2-phenylquinoline
CID 14954061
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline (CID 90459307) is 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline is COc1ccc(-c2cc(OC(C)(C)C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline?
The InChIKey is HJPJVIWCSUKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)23-19-13-18(14-9-11-15(22-4)12-10-14)21-17-8-6-5-7-16(17)19/h5-13H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline?
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline has a molecular weight of 307.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline is sourced from PubChem (CID 90459307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).