4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one

C16H12N4O3 — CID 95967035

IUPAC4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3nc4ccccn4c3N=O)cc21
InChIInChI=1S/C16H12N4O3/c1-19-11-8-10(5-6-12(11)23-9-14(19)21)15-16(18-22)20-7-3-2-4-13(20)17-15/h2-8H,9H2,1H3
InChIKeySOODZOYRZAVPDA-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one

4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one (PubChem CID 95967035) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
PubChem CID95967035
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3nc4ccccn4c3N=O)cc21
InChIInChI=1S/C16H12N4O3/c1-19-11-8-10(5-6-12(11)23-9-14(19)21)15-16(18-22)20-7-3-2-4-13(20)17-15/h2-8H,9H2,1H3
InChIKeySOODZOYRZAVPDA-UHFFFAOYSA-N
XLogP2.75
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-3H-indol-2-one
CID 82356282
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265
6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199460
2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356275
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 110311656
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 44722665
6-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 131900829
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one (CID 95967035) is 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(-c3nc4ccccn4c3N=O)cc21.
What is the InChIKey of 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The InChIKey is SOODZOYRZAVPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-19-11-8-10(5-6-12(11)23-9-14(19)21)15-16(18-22)20-7-3-2-4-13(20)17-15/h2-8H,9H2,1H3.
What are the key properties of 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one has a molecular weight of 308.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 95967035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).