3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol

C34H30N2O5 — CID 70388723

IUPAC3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
SMILESCOc1cc(O)ccc1OCc1ccc2ccccc2n1.Cc1cc(O)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H15NO3.C17H15NO2/c1-20-17-10-14(19)8-9-16(17)21-11-13-7-6-12-4-2-3-5-15(12)18-13;1-12-10-15(19)8-9-17(12)20-11-14-7-6-13-4-2-3-5-16(13)18-14/h2-10,19H,11H2,1H3;2-10,19H,11H2,1H3
InChIKeyHWHNMDDSRBUKOE-UHFFFAOYSA-N
MW546.62 g/mol
LogP7.36
Rot. Bonds7

About 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol

3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol (PubChem CID 70388723) has the molecular formula C34H30N2O5 and a molecular weight of 546.62 g/mol. Its IUPAC name is 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol.

Molecular Properties

Compound Name3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
PubChem CID70388723
Molecular FormulaC34H30N2O5
Molecular Weight546.62 g/mol
Exact Mass546.22
IUPAC Name3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
SMILESCOc1cc(O)ccc1OCc1ccc2ccccc2n1.Cc1cc(O)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H15NO3.C17H15NO2/c1-20-17-10-14(19)8-9-16(17)21-11-13-7-6-12-4-2-3-5-15(12)18-13;1-12-10-15(19)8-9-17(12)20-11-14-7-6-13-4-2-3-5-16(13)18-14/h2-10,19H,11H2,1H3;2-10,19H,11H2,1H3
InChIKeyHWHNMDDSRBUKOE-UHFFFAOYSA-N
XLogP7.36
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
2-methyl-6-propyl-3-(quinolin-2-ylmethoxy)phenol
CID 57174515
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539231
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734118
N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide
CID 166206465
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 19856213
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 86964994

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol?
The IUPAC name of 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol (CID 70388723) is 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol.
What is the SMILES notation for 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol?
The canonical SMILES for 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol is COc1cc(O)ccc1OCc1ccc2ccccc2n1.Cc1cc(O)ccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol?
The InChIKey is HWHNMDDSRBUKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.C17H15NO2/c1-20-17-10-14(19)8-9-16(17)21-11-13-7-6-12-4-2-3-5-15(12)18-13;1-12-10-15(19)8-9-17(12)20-11-14-7-6-13-4-2-3-5-16(13)18-14/h2-10,19H,11H2,1H3;2-10,19H,11H2,1H3.
What are the key properties of 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol?
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol has a molecular weight of 546.62 g/mol, XLogP of 7.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol is sourced from PubChem (CID 70388723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).