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

C21H21N3O5 — CID 24824320

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C21H21N3O5/c1-22-21(25)24-8-9-28-18-10-13(4-5-16(18)24)29-17-6-7-23-15-12-20(27-3)19(26-2)11-14(15)17/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyAICPYPMTMVSQBW-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.58
Rot. Bonds4

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 24824320) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID24824320
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C21H21N3O5/c1-22-21(25)24-8-9-28-18-10-13(4-5-16(18)24)29-17-6-7-23-15-12-20(27-3)19(26-2)11-14(15)17/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyAICPYPMTMVSQBW-UHFFFAOYSA-N
XLogP3.58
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.58
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-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 24824320) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is AICPYPMTMVSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-22-21(25)24-8-9-28-18-10-13(4-5-16(18)24)29-17-6-7-23-15-12-20(27-3)19(26-2)11-14(15)17/h4-7,10-12H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.58, 4 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-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 24824320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).