7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

C13H11ClN2O — CID 162441455

IUPAC7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESClc1cccc(-c2cc3c(cn2)OCCN3)c1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12-13(8-16-11)17-5-4-15-12/h1-3,6-8,15H,4-5H2
InChIKeyMWZATWNNSAWUIP-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.21
Rot. Bonds1

About 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine (PubChem CID 162441455) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
PubChem CID162441455
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESClc1cccc(-c2cc3c(cn2)OCCN3)c1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12-13(8-16-11)17-5-4-15-12/h1-3,6-8,15H,4-5H2
InChIKeyMWZATWNNSAWUIP-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine (CID 162441455) is 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine is Clc1cccc(-c2cc3c(cn2)OCCN3)c1.
What is the InChIKey of 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The InChIKey is MWZATWNNSAWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12-13(8-16-11)17-5-4-15-12/h1-3,6-8,15H,4-5H2.
What are the key properties of 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine has a molecular weight of 246.70 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 162441455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).