tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C21H27N3O4 — CID 171622166

IUPACtert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCOc1ccc(CNc2cnc3c(c2C)N(C(=O)OC(C)(C)C)CCO3)cc1
InChIInChI=1S/C21H27N3O4/c1-14-17(22-12-15-6-8-16(26-5)9-7-15)13-23-19-18(14)24(10-11-27-19)20(25)28-21(2,3)4/h6-9,13,22H,10-12H2,1-5H3
InChIKeyOBGBPUUACAAWMC-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 171622166) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
PubChem CID171622166
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nametert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCOc1ccc(CNc2cnc3c(c2C)N(C(=O)OC(C)(C)C)CCO3)cc1
InChIInChI=1S/C21H27N3O4/c1-14-17(22-12-15-6-8-16(26-5)9-7-15)13-23-19-18(14)24(10-11-27-19)20(25)28-21(2,3)4/h6-9,13,22H,10-12H2,1-5H3
InChIKeyOBGBPUUACAAWMC-UHFFFAOYSA-N
XLogP4.14
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(3-amino-7-bromo-8-chloroisoquinolin-6-yl)-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 146463492
tert-butyl 7-[2-[4-(2-methoxyethylsulfonylmethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324749
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 8-methyl-7-[8-methyl-2-[4-(methylsulfonylmethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324423
tert-butyl 7-[2-(4-methoxycarbonyl-3-methylanilino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324764
2-methyl-4-[[7-[8-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzoic acid
CID 170324300
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 162782515
tert-butyl 6-(2-bromoacetyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 164842732
tert-butyl 8-methyl-7-[2-[3-methyl-4-(methylamino)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;methanol;2-(2-methoxyethoxy)acetaldehyde
CID 170585574
tert-butyl 4-[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 5133072
tert-butyl 7-[7-fluoro-3-[(4-methoxyoxolan-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 146464006
tert-butyl 4-[4-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenoxy]piperidine-1-carboxylate
CID 91229565

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The IUPAC name of tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 171622166) is tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is COc1ccc(CNc2cnc3c(c2C)N(C(=O)OC(C)(C)C)CCO3)cc1.
What is the InChIKey of tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The InChIKey is OBGBPUUACAAWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-17(22-12-15-6-8-16(26-5)9-7-15)13-23-19-18(14)24(10-11-27-19)20(25)28-21(2,3)4/h6-9,13,22H,10-12H2,1-5H3.
What are the key properties of tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(4-methoxyphenyl)methylamino]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 171622166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).