2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C16H16N2O2 — CID 117000718

IUPAC2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cccc(-c2cnc3c(c2)OC(C)(C)C(=O)N3)c1
InChIInChI=1S/C16H16N2O2/c1-10-5-4-6-11(7-10)12-8-13-14(17-9-12)18-15(19)16(2,3)20-13/h4-9H,1-3H3,(H,17,18,19)
InChIKeyNKVMMZJVIXYCSA-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds1

About 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 117000718) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID117000718
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cccc(-c2cnc3c(c2)OC(C)(C)C(=O)N3)c1
InChIInChI=1S/C16H16N2O2/c1-10-5-4-6-11(7-10)12-8-13-14(17-9-12)18-15(19)16(2,3)20-13/h4-9H,1-3H3,(H,17,18,19)
InChIKeyNKVMMZJVIXYCSA-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 166000114
7-(3-aminophenyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 116995080
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422
3-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 80505501
7-bromo-2-ethyl-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143482433
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 83711439
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
6-(3-methylphenyl)-1H-quinazolin-2-one
CID 123895489
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
(E)-3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[(1R)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 23657957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 117000718) is 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1cccc(-c2cnc3c(c2)OC(C)(C)C(=O)N3)c1.
What is the InChIKey of 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NKVMMZJVIXYCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-5-4-6-11(7-10)12-8-13-14(17-9-12)18-15(19)16(2,3)20-13/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(3-methylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 117000718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).