7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C12H16N2O2 — CID 126576056

IUPAC7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CC)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-3-8(4-2)9-5-10-12(13-6-9)14-11(15)7-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyINXOKQYRDMNWHF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds3

About 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 126576056) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID126576056
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CC)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-3-8(4-2)9-5-10-12(13-6-9)14-11(15)7-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyINXOKQYRDMNWHF-UHFFFAOYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90962304
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155009311
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 166974019
7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000658
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 13090333
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494

Frequently Asked Questions

What is the IUPAC name of 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 126576056) is 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCC(CC)c1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is INXOKQYRDMNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-8(4-2)9-5-10-12(13-6-9)14-11(15)7-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15).
What are the key properties of 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 220.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 126576056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).