2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol

C20H16N4O4 — CID 139484414

IUPAC2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccc(O)c3n2)no1
InChIInChI=1S/C20H16N4O4/c1-12-10-18(23-28-12)22-19(14-5-2-6-15(11-14)24(26)27)16-9-8-13-4-3-7-17(25)20(13)21-16/h2-11,19,25H,1H3,(H,22,23)
InChIKeyAZSZXVZLBSDFDZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.35
Rot. Bonds5

About 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol

2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (PubChem CID 139484414) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
PubChem CID139484414
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccc(O)c3n2)no1
InChIInChI=1S/C20H16N4O4/c1-12-10-18(23-28-12)22-19(14-5-2-6-15(11-14)24(26)27)16-9-8-13-4-3-7-17(25)20(13)21-16/h2-11,19,25H,1H3,(H,22,23)
InChIKeyAZSZXVZLBSDFDZ-UHFFFAOYSA-N
XLogP4.35
TPSA114.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The IUPAC name of 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (CID 139484414) is 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is Cc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccc(O)c3n2)no1.
What is the InChIKey of 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The InChIKey is AZSZXVZLBSDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12-10-18(23-28-12)22-19(14-5-2-6-15(11-14)24(26)27)16-9-8-13-4-3-7-17(25)20(13)21-16/h2-11,19,25H,1H3,(H,22,23).
What are the key properties of 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol has a molecular weight of 376.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 139484414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).