5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione

C11H9ClN4O3 — CID 166951785

IUPAC5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(C2COc3cc(Cl)cnc3N2)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-5-1-8-9(13-2-5)15-7(4-19-8)6-3-14-10(17)11(18)16-6/h1-3,7H,4H2,(H,13,15)(H,14,17)(H,16,18)
InChIKeyKLGZAVQERKBIRA-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.66
Rot. Bonds1

About 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione

5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione (PubChem CID 166951785) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione
PubChem CID166951785
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(C2COc3cc(Cl)cnc3N2)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-5-1-8-9(13-2-5)15-7(4-19-8)6-3-14-10(17)11(18)16-6/h1-3,7H,4H2,(H,13,15)(H,14,17)(H,16,18)
InChIKeyKLGZAVQERKBIRA-UHFFFAOYSA-N
XLogP0.66
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium
CID 156842757
5-[(3R)-7-methylsulfonyl-2,3-dihydro-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
CID 166952030
5-[(3R)-7-(hydroxymethyl)-2,3-dihydro-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
CID 163673124
(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
5-(7-chloro-3-ethyl-4-methyl-2H-1,4-benzoxazin-3-yl)-1,4-dihydropyrazine-2,3-dione
CID 166951983
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338154
(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131574864
5-[7-chloro-3-(difluoromethyl)-2H-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
CID 166951911
7-chloro-3-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467783
6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837709

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione (CID 166951785) is 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione is O=c1[nH]cc(C2COc3cc(Cl)cnc3N2)[nH]c1=O.
What is the InChIKey of 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione?
The InChIKey is KLGZAVQERKBIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-5-1-8-9(13-2-5)15-7(4-19-8)6-3-14-10(17)11(18)16-6/h1-3,7H,4H2,(H,13,15)(H,14,17)(H,16,18).
What are the key properties of 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione?
5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione has a molecular weight of 280.67 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 166951785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).