7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C26H23N3O5 — CID 11328586

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O5/c1-31-24-15-19-20(16-25(24)32-2)27-11-10-22(19)34-18-8-9-21-23(14-18)33-13-12-29(21)26(30)28-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,28,30)
InChIKeyXBINIPRQWSOQIE-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.48
Rot. Bonds5

About 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 11328586) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID11328586
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O5/c1-31-24-15-19-20(16-25(24)32-2)27-11-10-22(19)34-18-8-9-21-23(14-18)33-13-12-29(21)26(30)28-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,28,30)
InChIKeyXBINIPRQWSOQIE-UHFFFAOYSA-N
XLogP5.48
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 11328586) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is XBINIPRQWSOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-31-24-15-19-20(16-25(24)32-2)27-11-10-22(19)34-18-8-9-21-23(14-18)33-13-12-29(21)26(30)28-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,28,30).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 11328586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).