6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one

C16H14N2O2 — CID 848487

IUPAC6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
SMILESCc1ccc(Nc2nc3ccc(C)cc3c(=O)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKeyGFWNGVKCDGYFKG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.55
Rot. Bonds2

About 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one

6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one (PubChem CID 848487) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
PubChem CID848487
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
SMILESCc1ccc(Nc2nc3ccc(C)cc3c(=O)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKeyGFWNGVKCDGYFKG-UHFFFAOYSA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one
CID 18762628
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
CID 18762620
2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 3587331
2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 21262472
2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one
CID 15940445
2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
CID 541118
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
CID 10427069
2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide
CID 87228115
1,1-dimethyl-3-[4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]urea
CID 118289402
trans-(1S,2S)-2-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 67359518

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one?
The IUPAC name of 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one (CID 848487) is 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one is Cc1ccc(Nc2nc3ccc(C)cc3c(=O)o2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one?
The InChIKey is GFWNGVKCDGYFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one?
6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 848487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).