7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

C10H10N2O3 — CID 139270783

IUPAC7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESCc1c(C=O)nc2c(c1C)OCC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-5-6(2)9-10(11-7(5)3-13)12-8(14)4-15-9/h3H,4H2,1-2H3,(H,11,12,14)
InChIKeyTWWYLTHVCMROTG-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.84
Rot. Bonds1

About 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (PubChem CID 139270783) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.

Molecular Properties

Compound Name7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
PubChem CID139270783
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESCc1c(C=O)nc2c(c1C)OCC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-5-6(2)9-10(11-7(5)3-13)12-8(14)4-15-9/h3H,4H2,1-2H3,(H,11,12,14)
InChIKeyTWWYLTHVCMROTG-UHFFFAOYSA-N
XLogP0.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500148
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 89348149
4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 608089
2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86659277
2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 14638232
4-chloro-2-[(E)-2-phenylethenyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 59138887
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67939026
4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
CID 66908669
6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
CID 82229995
4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The IUPAC name of 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (CID 139270783) is 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.
What is the SMILES notation for 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The canonical SMILES for 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is Cc1c(C=O)nc2c(c1C)OCC(=O)N2.
What is the InChIKey of 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The InChIKey is TWWYLTHVCMROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-6(2)9-10(11-7(5)3-13)12-8(14)4-15-9/h3H,4H2,1-2H3,(H,11,12,14).
What are the key properties of 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde has a molecular weight of 206.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is sourced from PubChem (CID 139270783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).