7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one

C16H16N2O2 — CID 82212148

IUPAC7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(NCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O2/c1-18-14-8-7-13(9-15(14)20-11-16(18)19)17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyVTWOBVYBMUZMQP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.65
Rot. Bonds3

About 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one

7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82212148) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
PubChem CID82212148
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(NCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O2/c1-18-14-8-7-13(9-15(14)20-11-16(18)19)17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyVTWOBVYBMUZMQP-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 24886668
6-[[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167784198
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 166231822
7-[3-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994810
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one
CID 82212203
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
7-[(4-methoxyphenyl)methylamino]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 94946596
2-[7-[(4-fluorophenyl)methylamino]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82212195
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125439982
7-[4-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994811

Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one (CID 82212148) is 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(NCc3ccccc3)ccc21.
What is the InChIKey of 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is VTWOBVYBMUZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-14-8-7-13(9-15(14)20-11-16(18)19)17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one?
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82212148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).