methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate

C23H22N4O5 — CID 58346254

IUPACmethyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2cccc(OC)c2)CCO3)cc1
InChIInChI=1S/C23H22N4O5/c1-30-18-5-3-4-17(14-18)25-23(29)27-12-13-32-19-10-11-20(26-21(19)27)24-16-8-6-15(7-9-16)22(28)31-2/h3-11,14H,12-13H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyIKNOTFNEVXTKDP-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.05
Rot. Bonds5

About methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate

methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate (PubChem CID 58346254) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
PubChem CID58346254
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Namemethyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2cccc(OC)c2)CCO3)cc1
InChIInChI=1S/C23H22N4O5/c1-30-18-5-3-4-17(14-18)25-23(29)27-12-13-32-19-10-11-20(26-21(19)27)24-16-8-6-15(7-9-16)22(28)31-2/h3-11,14H,12-13H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyIKNOTFNEVXTKDP-UHFFFAOYSA-N
XLogP4.05
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate with MolForge

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Related Compounds

4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346010
methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58345991
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346037
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346311
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346146
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
N-[3-[(5-methoxyquinolin-2-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 162669516
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate (CID 58346254) is methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate is COC(=O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2cccc(OC)c2)CCO3)cc1.
What is the InChIKey of methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate?
The InChIKey is IKNOTFNEVXTKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-30-18-5-3-4-17(14-18)25-23(29)27-12-13-32-19-10-11-20(26-21(19)27)24-16-8-6-15(7-9-16)22(28)31-2/h3-11,14H,12-13H2,1-2H3,(H,24,26)(H,25,29).
What are the key properties of methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate?
methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate has a molecular weight of 434.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate is sourced from PubChem (CID 58346254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).