4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate

C52H45N9O14 — CID 160947322

About 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate

4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate (PubChem CID 160947322) has the molecular formula C52H45N9O14 and a molecular weight of 1019.98 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate
• PubChem CID: 160947322
• Molecular Formula: C52H45N9O14
• Molecular Weight: 1019.98 g/mol
• Exact Mass: 1019.31
• IUPAC Name: 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate
• SMILES: COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O.Cc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)no1.Cc1cc2nccc(Oc3ccc4c(c3)OCCN4)c2cc1O
• InChI: InChI=1S/C23H20N4O6.C18H16N2O3.C11H9N3O5/c1-13-9-22(26-33-13)25-23(29)27-7-8-31-20-10-14(3-4-17(20)27)32-19-5-6-24-16-12-21(30-2)18(28)11-15(16)19;1-11-8-15-13(10-16(11)21)17(4-5-19-15)23-12-2-3-14-18(9-12)22-7-6-20-14;1-7-6-10(13-19-7)12-11(15)18-9-4-2-8(3-5-9)14(16)17/h3-6,9-12,28H,7-8H2,1-2H3,(H,25,26,29);2-5,8-10,20-21H,6-7H2,1H3;2-6H,1H3,(H,12,13,15)
• InChIKey: SVHDQPUDYVTPQA-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 290.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.98
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate?

The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate (CID 160947322) is 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate.

What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate?

The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O.Cc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)no1.Cc1cc2nccc(Oc3ccc4c(c3)OCCN4)c2cc1O.

What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate?

The InChIKey is SVHDQPUDYVTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6.C18H16N2O3.C11H9N3O5/c1-13-9-22(26-33-13)25-23(29)27-7-8-31-20-10-14(3-4-17(20)27)32-19-5-6-24-16-12-21(30-2)18(28)11-15(16)19;1-11-8-15-13(10-16(11)21)17(4-5-19-15)23-12-2-3-14-18(9-12)22-7-6-20-14;1-7-6-10(13-19-7)12-11(15)18-9-4-2-8(3-5-9)14(16)17/h3-6,9-12,28H,7-8H2,1-2H3,(H,25,26,29);2-5,8-10,20-21H,6-7H2,1H3;2-6H,1H3,(H,12,13,15).

What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate?

4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 1019.98 g/mol, XLogP of 10.82, 9 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 160947322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).