7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol

C20H16N4O4 — CID 3869346

IUPAC7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)22-18(14-4-2-6-15(11-14)24(26)27)16-8-7-13-5-3-9-21-19(13)20(16)25/h2-11,18,25H,1H3,(H,22,23)
InChIKeyIMWNEYJBYYRRFU-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.35
Rot. Bonds5

About 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol

7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (PubChem CID 3869346) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
PubChem CID3869346
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)22-18(14-4-2-6-15(11-14)24(26)27)16-8-7-13-5-3-9-21-19(13)20(16)25/h2-11,18,25H,1H3,(H,22,23)
InChIKeyIMWNEYJBYYRRFU-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': 'mannich_A(296)', '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 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (CID 3869346) is 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is Cc1cc(NC(c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1.
What is the InChIKey of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The InChIKey is IMWNEYJBYYRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)22-18(14-4-2-6-15(11-14)24(26)27)16-8-7-13-5-3-9-21-19(13)20(16)25/h2-11,18,25H,1H3,(H,22,23).
What are the key properties of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
7-[[(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 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 3869346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).