4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

C14H12N2O2 — CID 14423586

IUPAC4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1Cc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14-10-18-13-7-2-1-6-12(13)16(14)9-11-5-3-4-8-15-11/h1-8H,9-10H2
InChIKeyLHRCEWJAULJZPT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.01
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 14423586) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID14423586
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1Cc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14-10-18-13-7-2-1-6-12(13)16(14)9-11-5-3-4-8-15-11/h1-8H,9-10H2
InChIKeyLHRCEWJAULJZPT-UHFFFAOYSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
4-[[3-(aminomethyl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 18071020
2-methyl-1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 111770762
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 653720
4-(thiophen-3-ylmethyl)-1,4-benzoxazin-3-one
CID 54161143
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
potassium trifluoro-[(3-oxo-1,4-benzoxazin-4-yl)methyl]boranuide
CID 55234588
4-[(4-amino-2-pyridinyl)methyl]-6-bromo-1,4-benzoxazin-3-one
CID 79251552
(1S,11S)-12-propan-2-yl-9-(pyridin-2-ylmethyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410275

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (CID 14423586) is 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1Cc1ccccn1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is LHRCEWJAULJZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-10-18-13-7-2-1-6-12(13)16(14)9-11-5-3-4-8-15-11/h1-8H,9-10H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 240.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 14423586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).