3-(3-nitroquinolin-4-yl)sulfanylphenol

C15H10N2O3S — CID 104590990

IUPAC3-(3-nitroquinolin-4-yl)sulfanylphenol
SMILESO=[N+]([O-])c1cnc2ccccc2c1Sc1cccc(O)c1
InChIInChI=1S/C15H10N2O3S/c18-10-4-3-5-11(8-10)21-15-12-6-1-2-7-13(12)16-9-14(15)17(19)20/h1-9,18H
InChIKeyBORCHWDJMJIHFW-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.00
Rot. Bonds3

About 3-(3-nitroquinolin-4-yl)sulfanylphenol

3-(3-nitroquinolin-4-yl)sulfanylphenol (PubChem CID 104590990) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(3-nitroquinolin-4-yl)sulfanylphenol.

Molecular Properties

Compound Name3-(3-nitroquinolin-4-yl)sulfanylphenol
PubChem CID104590990
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name3-(3-nitroquinolin-4-yl)sulfanylphenol
SMILESO=[N+]([O-])c1cnc2ccccc2c1Sc1cccc(O)c1
InChIInChI=1S/C15H10N2O3S/c18-10-4-3-5-11(8-10)21-15-12-6-1-2-7-13(12)16-9-14(15)17(19)20/h1-9,18H
InChIKeyBORCHWDJMJIHFW-UHFFFAOYSA-N
XLogP4.00
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-nitro-4-pyridinyl)sulfanyl]phenol
CID 104590958
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
3-nitroquinoline-4-carboxamide
CID 19034747
4-(3-chloro-2-methylpropyl)sulfanyl-3-nitroquinoline
CID 103964740
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-(3-hydroxyphenyl)sulfanyl-3-nitropyridine-4-carbonitrile
CID 104576647
4-azido-3-nitroquinoline
CID 112704025
3-(3-methyl-2-nitrophenyl)sulfanylphenol
CID 114041920
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-(3-nitroquinolin-4-yl)oxyaniline
CID 103964825
4-(3-bromophenoxy)-3-nitroquinoline
CID 103963835
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitroquinolin-4-yl)sulfanylphenol?
The IUPAC name of 3-(3-nitroquinolin-4-yl)sulfanylphenol (CID 104590990) is 3-(3-nitroquinolin-4-yl)sulfanylphenol.
What is the SMILES notation for 3-(3-nitroquinolin-4-yl)sulfanylphenol?
The canonical SMILES for 3-(3-nitroquinolin-4-yl)sulfanylphenol is O=[N+]([O-])c1cnc2ccccc2c1Sc1cccc(O)c1.
What is the InChIKey of 3-(3-nitroquinolin-4-yl)sulfanylphenol?
The InChIKey is BORCHWDJMJIHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-10-4-3-5-11(8-10)21-15-12-6-1-2-7-13(12)16-9-14(15)17(19)20/h1-9,18H.
What are the key properties of 3-(3-nitroquinolin-4-yl)sulfanylphenol?
3-(3-nitroquinolin-4-yl)sulfanylphenol has a molecular weight of 298.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitroquinolin-4-yl)sulfanylphenol is sourced from PubChem (CID 104590990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).