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

C27H25N3O5 — CID 11351900

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)
InChIKeyYULUVWHIOGBTPX-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.78
Rot. Bonds5

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 11351900) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID11351900
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)
InChIKeyYULUVWHIOGBTPX-UHFFFAOYSA-N
XLogP5.78
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 11351900) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is YULUVWHIOGBTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 5.78, 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-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 11351900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).