methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol

C18H19NO5S — CID 170169423

IUPACmethanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
SMILESCOc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1.CS(=O)(=O)O
InChIInChI=1S/C17H15NO2.CH4O3S/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16;1-5(2,3)4/h3-10,19H,1-2H3;1H3,(H,2,3,4)
InChIKeyCNUYCBJEVUIXDM-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.43
Rot. Bonds2

About methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol

methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol (PubChem CID 170169423) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol.

Molecular Properties

Compound Namemethanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
PubChem CID170169423
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namemethanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
SMILESCOc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1.CS(=O)(=O)O
InChIInChI=1S/C17H15NO2.CH4O3S/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16;1-5(2,3)4/h3-10,19H,1-2H3;1H3,(H,2,3,4)
InChIKeyCNUYCBJEVUIXDM-UHFFFAOYSA-N
XLogP3.43
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis[4-(7-methoxyquinolin-4-yl)-2-methylphenyl] propanedioate
CID 175394062
5-(6-methoxyquinolin-4-yl)-2-methylphenol
CID 70854482
7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
CID 151937578
3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
CID 175787265
7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
CID 155100032
imino-[7-(7-methoxyquinolin-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-methyl-oxo-λ6-sulfane
CID 166562020
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
CID 155099810
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
4,7-dimethoxyquinoline
CID 20743716
4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
6-methoxyquinoline-4-sulfonic acid
CID 119093175

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol?
The IUPAC name of methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol (CID 170169423) is methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol.
What is the SMILES notation for methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol?
The canonical SMILES for methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol is COc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol?
The InChIKey is CNUYCBJEVUIXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.CH4O3S/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16;1-5(2,3)4/h3-10,19H,1-2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol?
methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol has a molecular weight of 361.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol is sourced from PubChem (CID 170169423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).