4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]

C17H16N2O2 — CID 171522755

IUPAC4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]
SMILESCc1cc(C2=NC3(COC3)Oc3ccccc32)cnc1C
InChIInChI=1S/C17H16N2O2/c1-11-7-13(8-18-12(11)2)16-14-5-3-4-6-15(14)21-17(19-16)9-20-10-17/h3-8H,9-10H2,1-2H3
InChIKeyFHRFRUHWRWAZGI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.65
Rot. Bonds1

About 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]

4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane] (PubChem CID 171522755) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane].

Molecular Properties

Compound Name4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]
PubChem CID171522755
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]
SMILESCc1cc(C2=NC3(COC3)Oc3ccccc32)cnc1C
InChIInChI=1S/C17H16N2O2/c1-11-7-13(8-18-12(11)2)16-14-5-3-4-6-15(14)21-17(19-16)9-20-10-17/h3-8H,9-10H2,1-2H3
InChIKeyFHRFRUHWRWAZGI-UHFFFAOYSA-N
XLogP2.65
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 166132407
4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 68993426
2-tert-butyl-4-(5,6-dimethyl-3-pyridinyl)-2,8-dimethyl-1,3-benzoxazine
CID 171522807
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
3-(3,3-dimethyl-4H-isoquinolin-1-yl)-6,7-dimethylquinoline
CID 90308725
5-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-2,3-dimethyl-2,3-dihydro-1,4-benzoxazepine
CID 171619613
2,3-dimethyl-5-pyridin-3-ylpyridine
CID 122608541
CID 171522843
CID 171522843
4,4-difluoro-1-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-3,3-dimethylisoquinoline
CID 138687855
1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline
CID 135240101
1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4-fluoro-3,3,4-trimethylisoquinoline
CID 170389002
2-methyl-1-phenyl-5H-chromeno[3,4-c]pyridine
CID 12065112

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]?
The IUPAC name of 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane] (CID 171522755) is 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane].
What is the SMILES notation for 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]?
The canonical SMILES for 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane] is Cc1cc(C2=NC3(COC3)Oc3ccccc32)cnc1C.
What is the InChIKey of 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]?
The InChIKey is FHRFRUHWRWAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-13(8-18-12(11)2)16-14-5-3-4-6-15(14)21-17(19-16)9-20-10-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]?
4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane] has a molecular weight of 280.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane] is sourced from PubChem (CID 171522755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).