1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one

C20H16N2O2 — CID 141304927

IUPAC1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2nc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C20H16N2O2/c1-22-17-12-16(14-8-4-2-5-9-14)19(15-10-6-3-7-11-15)21-20(17)24-13-18(22)23/h2-12H,13H2,1H3
InChIKeyTXGCQFHOFYYBNN-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.77
Rot. Bonds2

About 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one

1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 141304927) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID141304927
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2nc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C20H16N2O2/c1-22-17-12-16(14-8-4-2-5-9-14)19(15-10-6-3-7-11-15)21-20(17)24-13-18(22)23/h2-12H,13H2,1H3
InChIKeyTXGCQFHOFYYBNN-UHFFFAOYSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67257000
6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 178031751
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-methoxyethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67254897
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 90309741
[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid
CID 67257667
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53262178
6-bromo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 86683678
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-4-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262056
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-3-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262116
tert-butyl-[1-[4-[1-(4-cyanobutyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67256145
[1-[4-[1-(2,2-difluoroethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 88926626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one (CID 141304927) is 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one is CN1C(=O)COc2nc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is TXGCQFHOFYYBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22-17-12-16(14-8-4-2-5-9-14)19(15-10-6-3-7-11-15)21-20(17)24-13-18(22)23/h2-12H,13H2,1H3.
What are the key properties of 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one?
1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 141304927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).