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

C27H25N3O5 — CID 11213588

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C27H25N3O5/c1-17-5-4-6-18(13-17)29-27(31)30-11-12-34-24-14-19(7-8-22(24)30)35-23-9-10-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-10,13-16H,11-12H2,1-3H3,(H,29,31)
InChIKeyOQKMFDJSKWESCR-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.78
Rot. Bonds5

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 11213588) 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-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID11213588
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C27H25N3O5/c1-17-5-4-6-18(13-17)29-27(31)30-11-12-34-24-14-19(7-8-22(24)30)35-23-9-10-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-10,13-16H,11-12H2,1-3H3,(H,29,31)
InChIKeyOQKMFDJSKWESCR-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-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 11213588) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cccc(C)c3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is OQKMFDJSKWESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-5-4-6-18(13-17)29-27(31)30-11-12-34-24-14-19(7-8-22(24)30)35-23-9-10-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-10,13-16H,11-12H2,1-3H3,(H,29,31).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-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-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 11213588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).