ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate

C22H22N4O3 — CID 69182791

IUPACethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)OC(c1ccccc1)C(c1ccccc1)N2
InChIInChI=1S/C22H22N4O3/c1-2-28-22(27)26-17-13-16-20(21(23)25-17)29-19(15-11-7-4-8-12-15)18(24-16)14-9-5-3-6-10-14/h3-13,18-19,24H,2H2,1H3,(H3,23,25,26,27)
InChIKeyGOMNHLLUBKYQGB-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.52
Rot. Bonds4

About ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate

ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate (PubChem CID 69182791) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
PubChem CID69182791
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nameethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)OC(c1ccccc1)C(c1ccccc1)N2
InChIInChI=1S/C22H22N4O3/c1-2-28-22(27)26-17-13-16-20(21(23)25-17)29-19(15-11-7-4-8-12-15)18(24-16)14-9-5-3-6-10-14/h3-13,18-19,24H,2H2,1H3,(H3,23,25,26,27)
InChIKeyGOMNHLLUBKYQGB-UHFFFAOYSA-N
XLogP4.52
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate with MolForge

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Related Compounds

ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
CID 158958595
ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 46829310
ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10087756
benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91494646
2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 6711493
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91261655
ethyl N-[6-amino-4-[[(E)-benzylideneamino]-methylamino]-5-nitro-2-pyridinyl]carbamate
CID 14530472
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
ethyl N-[6-amino-4-[amino(benzhydryl)amino]-5-nitro-2-pyridinyl]carbamate
CID 59312488
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[4-amino-1-[(E)-benzylideneamino]-2-benzylsulfanylimidazo[4,5-c]pyridin-6-yl]carbamate
CID 11820712

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate (CID 69182791) is ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate is CCOC(=O)Nc1cc2c(c(N)n1)OC(c1ccccc1)C(c1ccccc1)N2.
What is the InChIKey of ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate?
The InChIKey is GOMNHLLUBKYQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-28-22(27)26-17-13-16-20(21(23)25-17)29-19(15-11-7-4-8-12-15)18(24-16)14-9-5-3-6-10-14/h3-13,18-19,24H,2H2,1H3,(H3,23,25,26,27).
What are the key properties of ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate?
ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate has a molecular weight of 390.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate is sourced from PubChem (CID 69182791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).