6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one

C15H14N2O2 — CID 150640039

IUPAC6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCc1ccc(Cc2ccc3c(c2)C(=O)NCO3)cn1
InChIInChI=1S/C15H14N2O2/c1-10-2-3-12(8-16-10)6-11-4-5-14-13(7-11)15(18)17-9-19-14/h2-5,7-8H,6,9H2,1H3,(H,17,18)
InChIKeyIZSASNVXPBDFGM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.06
Rot. Bonds2

About 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one

6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 150640039) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID150640039
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCc1ccc(Cc2ccc3c(c2)C(=O)NCO3)cn1
InChIInChI=1S/C15H14N2O2/c1-10-2-3-12(8-16-10)6-11-4-5-14-13(7-11)15(18)17-9-19-14/h2-5,7-8H,6,9H2,1H3,(H,17,18)
InChIKeyIZSASNVXPBDFGM-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 89345906
6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one
CID 172601912
7-(hydroxymethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526353
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747301
6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one
CID 59564298
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
CID 139319025
5-benzyl-1-benzofuran-3-one
CID 62272990
N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
CID 170184580
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
CID 115371155
5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine
CID 154715537
3-amino-4-(2,3-dihydro-1,3-benzoxazol-5-ylmethyl)cyclobut-3-ene-1,2-dione
CID 87748176

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one (CID 150640039) is 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one is Cc1ccc(Cc2ccc3c(c2)C(=O)NCO3)cn1.
What is the InChIKey of 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is IZSASNVXPBDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-2-3-12(8-16-10)6-11-4-5-14-13(7-11)15(18)17-9-19-14/h2-5,7-8H,6,9H2,1H3,(H,17,18).
What are the key properties of 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one?
6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 254.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 150640039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).