2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C24H19F3N4O6 — CID 70874823

IUPAC2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc3nc(OCc4ccc(OC(F)(F)F)cc4)ccc3c1)CC2
InChIInChI=1S/C24H19F3N4O6/c25-24(26,27)37-17-4-1-15(2-5-17)13-35-22-8-3-16-11-18(6-7-20(16)28-22)34-14-19-9-10-30-12-21(31(32)33)29-23(30)36-19/h1-8,11-12,19H,9-10,13-14H2
InChIKeyRHOPXRDSDRPILC-UHFFFAOYSA-N
MW516.43 g/mol
LogP5.05
Rot. Bonds8

About 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 70874823) has the molecular formula C24H19F3N4O6 and a molecular weight of 516.43 g/mol. Its IUPAC name is 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID70874823
Molecular FormulaC24H19F3N4O6
Molecular Weight516.43 g/mol
Exact Mass516.13
IUPAC Name2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc3nc(OCc4ccc(OC(F)(F)F)cc4)ccc3c1)CC2
InChIInChI=1S/C24H19F3N4O6/c25-24(26,27)37-17-4-1-15(2-5-17)13-35-22-8-3-16-11-18(6-7-20(16)28-22)34-14-19-9-10-30-12-21(31(32)33)29-23(30)36-19/h1-8,11-12,19H,9-10,13-14H2
InChIKeyRHOPXRDSDRPILC-UHFFFAOYSA-N
XLogP5.05
TPSA110.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 70874823) is 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc3nc(OCc4ccc(OC(F)(F)F)cc4)ccc3c1)CC2.
What is the InChIKey of 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is RHOPXRDSDRPILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O6/c25-24(26,27)37-17-4-1-15(2-5-17)13-35-22-8-3-16-11-18(6-7-20(16)28-22)34-14-19-9-10-30-12-21(31(32)33)29-23(30)36-19/h1-8,11-12,19H,9-10,13-14H2.
What are the key properties of 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 516.43 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 70874823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).