1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol

C20H24N2O3S — CID 168886754

IUPAC1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
SMILESCC(C)(O)CN.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1
InChIInChI=1S/C16H13NO2S.C4H11NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-4(2,6)3-5/h2-10,20H,1H3;6H,3,5H2,1-2H3
InChIKeyLJPSINAKLXSITM-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.04
Rot. Bonds4

About 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol

1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol (PubChem CID 168886754) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
PubChem CID168886754
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
SMILESCC(C)(O)CN.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1
InChIInChI=1S/C16H13NO2S.C4H11NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-4(2,6)3-5/h2-10,20H,1H3;6H,3,5H2,1-2H3
InChIKeyLJPSINAKLXSITM-UHFFFAOYSA-N
XLogP4.04
TPSA77.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
4,7-dimethoxyquinoline
CID 20743716
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
CID 157102986
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The IUPAC name of 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol (CID 168886754) is 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol is CC(C)(O)CN.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The InChIKey is LJPSINAKLXSITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S.C4H11NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-4(2,6)3-5/h2-10,20H,1H3;6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol has a molecular weight of 372.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol is sourced from PubChem (CID 168886754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).