2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol

C13H9N3O4S2 — CID 151030143

IUPAC2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol
SMILESCOc1cc(Sc2ncc([N+](=O)[O-])s2)c2ccc(O)cc2n1
InChIInChI=1S/C13H9N3O4S2/c1-20-11-5-10(8-3-2-7(17)4-9(8)15-11)21-13-14-6-12(22-13)16(18)19/h2-6,17H,1H3
InChIKeyLZWOFWWJNTZGIA-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.46
Rot. Bonds4

About 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol

2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol (PubChem CID 151030143) has the molecular formula C13H9N3O4S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol.

Molecular Properties

Compound Name2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol
PubChem CID151030143
Molecular FormulaC13H9N3O4S2
Molecular Weight335.37 g/mol
Exact Mass335.00
IUPAC Name2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol
SMILESCOc1cc(Sc2ncc([N+](=O)[O-])s2)c2ccc(O)cc2n1
InChIInChI=1S/C13H9N3O4S2/c1-20-11-5-10(8-3-2-7(17)4-9(8)15-11)21-13-14-6-12(22-13)16(18)19/h2-6,17H,1H3
InChIKeyLZWOFWWJNTZGIA-UHFFFAOYSA-N
XLogP3.46
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol?
The IUPAC name of 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol (CID 151030143) is 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol.
What is the SMILES notation for 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol?
The canonical SMILES for 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol is COc1cc(Sc2ncc([N+](=O)[O-])s2)c2ccc(O)cc2n1.
What is the InChIKey of 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol?
The InChIKey is LZWOFWWJNTZGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S2/c1-20-11-5-10(8-3-2-7(17)4-9(8)15-11)21-13-14-6-12(22-13)16(18)19/h2-6,17H,1H3.
What are the key properties of 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol?
2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol has a molecular weight of 335.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]quinolin-7-ol is sourced from PubChem (CID 151030143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).