4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C14H11ClN2O2 — CID 11837222

IUPAC4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-11-4-1-3-10(7-11)8-17-13(18)9-19-12-5-2-6-16-14(12)17/h1-7H,8-9H2
InChIKeyZJARCHOMDCOYPY-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.66
Rot. Bonds2

About 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 11837222) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID11837222
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-11-4-1-3-10(7-11)8-17-13(18)9-19-12-5-2-6-16-14(12)17/h1-7H,8-9H2
InChIKeyZJARCHOMDCOYPY-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 58102122
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72881646
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72890647
4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 134114793
12-benzyl-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-11-one
CID 14836198
4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72860249
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72874580
(3-chlorophenyl)-[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]azanium
CID 142893450
1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
CID 141040925
4-[[3-(aminomethyl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 18071020

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 11837222) is 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZJARCHOMDCOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-4-1-3-10(7-11)8-17-13(18)9-19-12-5-2-6-16-14(12)17/h1-7H,8-9H2.
What are the key properties of 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 274.71 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 11837222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).