2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C9H11N3O2 — CID 116990341

IUPAC2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCCC1Oc2cccnc2NC1=O
InChIInChI=1S/C9H11N3O2/c10-4-3-7-9(13)12-8-6(14-7)2-1-5-11-8/h1-2,5,7H,3-4,10H2,(H,11,12,13)
InChIKeyVJTUYTWWBHAMHD-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.13
Rot. Bonds2

About 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990341) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990341
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCCC1Oc2cccnc2NC1=O
InChIInChI=1S/C9H11N3O2/c10-4-3-7-9(13)12-8-6(14-7)2-1-5-11-8/h1-2,5,7H,3-4,10H2,(H,11,12,13)
InChIKeyVJTUYTWWBHAMHD-UHFFFAOYSA-N
XLogP0.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 3644169
2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990354
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
2-(2-morpholin-4-ylethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766172
2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91884397
2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766170
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
2-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one
CID 141475665
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
CID 22036235
2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990407
2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990418
(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 95035159

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990341) is 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is NCCC1Oc2cccnc2NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VJTUYTWWBHAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-4-3-7-9(13)12-8-6(14-7)2-1-5-11-8/h1-2,5,7H,3-4,10H2,(H,11,12,13).
What are the key properties of 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 193.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).