2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C13H18N4O2 — CID 116990418

IUPAC2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1CCNCC1CC1Oc2cccnc2NC1=O
InChIInChI=1S/C13H18N4O2/c1-17-6-5-14-8-9(17)7-11-13(18)16-12-10(19-11)3-2-4-15-12/h2-4,9,11,14H,5-8H2,1H3,(H,15,16,18)
InChIKeyJANFIELQHLOPCX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.07
Rot. Bonds2

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

2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990418) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990418
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1CCNCC1CC1Oc2cccnc2NC1=O
InChIInChI=1S/C13H18N4O2/c1-17-6-5-14-8-9(17)7-11-13(18)16-12-10(19-11)3-2-4-15-12/h2-4,9,11,14H,5-8H2,1H3,(H,15,16,18)
InChIKeyJANFIELQHLOPCX-UHFFFAOYSA-N
XLogP0.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766170
2-(2-morpholin-4-ylethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766172
2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990354
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341
2-morpholin-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990411
2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990407
(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 95035159
2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91884397
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
CID 22036235
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
3-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)butanenitrile
CID 116990454

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990418) is 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CN1CCNCC1CC1Oc2cccnc2NC1=O.
What is the InChIKey of 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JANFIELQHLOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-6-5-14-8-9(17)7-11-13(18)16-12-10(19-11)3-2-4-15-12/h2-4,9,11,14H,5-8H2,1H3,(H,15,16,18).
What are the key properties of 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperazin-2-yl)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).