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

C22H23N3O5 — CID 24824052

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
InChIKeyZKVQZKJTCLSERL-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.97
Rot. Bonds5

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 24824052) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID24824052
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
InChIKeyZKVQZKJTCLSERL-UHFFFAOYSA-N
XLogP3.97
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.97
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-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 24824052) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is ZKVQZKJTCLSERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.97, 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-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 24824052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).