2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine

C7H8N2O — CID 141034032

IUPAC2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine
SMILESc1cc2c(cn1)COCN2
InChIInChI=1S/C7H8N2O/c1-2-8-3-6-4-10-5-9-7(1)6/h1-3,9H,4-5H2
InChIKeyYCMIHNWNQKSUFU-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.98
Rot. Bonds

About 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine

2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine (PubChem CID 141034032) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine.

Molecular Properties

Compound Name2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine
PubChem CID141034032
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine
SMILESc1cc2c(cn1)COCN2
InChIInChI=1S/C7H8N2O/c1-2-8-3-6-4-10-5-9-7(1)6/h1-3,9H,4-5H2
InChIKeyYCMIHNWNQKSUFU-UHFFFAOYSA-N
XLogP0.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45786849
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2-(3-Pyridinyl)morpholine
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3-((4-Piperidinyloxy)methyl)pyridine
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4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
CID 617410
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CID 84070547
3-Pyridinecarboximidic acid, ethyl ester
CID 10464495
3,4-dihydro-1H-pyrano[3,4-c]pyridine
CID 14531236
4,4-diethyl-2-(pyridin-3-yl)-1,4-dihydro-2H-3,1-benzoxazine
CID 668641
4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine
CID 45490284
O-methyl 4-amino-6-fluoropyridine-3-carbothioate
CID 53875060

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine?
The IUPAC name of 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine (CID 141034032) is 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine.
What is the SMILES notation for 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine?
The canonical SMILES for 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine is c1cc2c(cn1)COCN2.
What is the InChIKey of 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine?
The InChIKey is YCMIHNWNQKSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-8-3-6-4-10-5-9-7(1)6/h1-3,9H,4-5H2.
What are the key properties of 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine?
2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine has a molecular weight of 136.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine is sourced from PubChem (CID 141034032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).