4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C15H11ClN2O4 — CID 72881646

IUPAC4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C15H11ClN2O4/c16-10-5-13-12(21-8-22-13)4-9(10)6-18-14(19)7-20-11-2-1-3-17-15(11)18/h1-5H,6-8H2
InChIKeyFXTUPJJEOBIWMQ-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.39
Rot. Bonds2

About 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72881646) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72881646
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Name4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C15H11ClN2O4/c16-10-5-13-12(21-8-22-13)4-9(10)6-18-14(19)7-20-11-2-1-3-17-15(11)18/h1-5H,6-8H2
InChIKeyFXTUPJJEOBIWMQ-UHFFFAOYSA-N
XLogP2.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 11837222
4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 58102122
4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 134114793
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72890647
4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72860249
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72874580
4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72905097
4-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280311
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72931501
4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one
CID 82063570
4-[(2-chlorophenyl)methyl]-7-iodo-1,4-benzoxazin-3-one
CID 79785245

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72881646) is 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1Cc1cc2c(cc1Cl)OCO2.
What is the InChIKey of 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is FXTUPJJEOBIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-10-5-13-12(21-8-22-13)4-9(10)6-18-14(19)7-20-11-2-1-3-17-15(11)18/h1-5H,6-8H2.
What are the key properties of 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 318.72 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72881646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).