6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one

C17H19N3O3 — CID 110831575

IUPAC6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESNc1ccc2c(n1)N(CCCCOc1ccccc1)C(=O)CO2
InChIInChI=1S/C17H19N3O3/c18-15-9-8-14-17(19-15)20(16(21)12-23-14)10-4-5-11-22-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H2,18,19)
InChIKeyHRGDYIQAVBLLIV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.25
Rot. Bonds6

About 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one

6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 110831575) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID110831575
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESNc1ccc2c(n1)N(CCCCOc1ccccc1)C(=O)CO2
InChIInChI=1S/C17H19N3O3/c18-15-9-8-14-17(19-15)20(16(21)12-23-14)10-4-5-11-22-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H2,18,19)
InChIKeyHRGDYIQAVBLLIV-UHFFFAOYSA-N
XLogP2.25
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 83493674
(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate
CID 118365702
2-[(6-bromo-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl]benzoic acid
CID 110832036
4-[2-(3-aminophenoxy)ethyl]-1,4-benzoxazin-3-one
CID 43365763
4-[4-(3-methylphenoxy)butyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696025
ethyl 2-[2-[[2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110831568
6-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one
CID 76552648
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 110831553
2-phenoxyethyl 2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetate
CID 39086299
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
N-(3-methoxypropyl)-4-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]butanamide
CID 46035285
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72874580

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 110831575) is 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one is Nc1ccc2c(n1)N(CCCCOc1ccccc1)C(=O)CO2.
What is the InChIKey of 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is HRGDYIQAVBLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-15-9-8-14-17(19-15)20(16(21)12-23-14)10-4-5-11-22-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H2,18,19).
What are the key properties of 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one?
6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 110831575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).