7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C23H20N4O6 — CID 42624262

IUPAC7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O
InChIInChI=1S/C23H20N4O6/c1-13-9-22(26-33-13)25-23(29)27-7-8-31-20-10-14(3-4-17(20)27)32-19-5-6-24-16-12-21(30-2)18(28)11-15(16)19/h3-6,9-12,28H,7-8H2,1-2H3,(H,25,26,29)
InChIKeySLBXJLLTOBRNRD-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.47
Rot. Bonds4

About 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 42624262) has the molecular formula C23H20N4O6 and a molecular weight of 448.44 g/mol. Its IUPAC name is 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID42624262
Molecular FormulaC23H20N4O6
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC Name7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O
InChIInChI=1S/C23H20N4O6/c1-13-9-22(26-33-13)25-23(29)27-7-8-31-20-10-14(3-4-17(20)27)32-19-5-6-24-16-12-21(30-2)18(28)11-15(16)19/h3-6,9-12,28H,7-8H2,1-2H3,(H,25,26,29)
InChIKeySLBXJLLTOBRNRD-UHFFFAOYSA-N
XLogP4.47
TPSA119.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methylquinolin-6-ol;7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(4-nitrophenyl) N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 160947322
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52944388
7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824319
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52941668
4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
CID 69202302
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;methanesulfonic acid
CID 86603570
1-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843
1-[2-chloro-4-[7-methoxy-6-[5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 176897331
1-[2-chloro-4-(6,7-diformylquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 177059919
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824191
1-N'-(4-fluoro-3-methylphenyl)-1-N-[4-(6-hydroxy-7-methoxyquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 138463596

Frequently Asked Questions

What is the IUPAC name of 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 42624262) is 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O.
What is the InChIKey of 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is SLBXJLLTOBRNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6/c1-13-9-22(26-33-13)25-23(29)27-7-8-31-20-10-14(3-4-17(20)27)32-19-5-6-24-16-12-21(30-2)18(28)11-15(16)19/h3-6,9-12,28H,7-8H2,1-2H3,(H,25,26,29).
What are the key properties of 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 448.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 42624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).