4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C20H17ClN2O2 — CID 24844948

IUPAC4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)Oc2cccnc2N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2.ClH/c23-20-18(16-10-5-2-6-11-16)24-17-12-7-13-21-19(17)22(20)14-15-8-3-1-4-9-15;/h1-13,18H,14H2;1H
InChIKeyDRLRTEXYSOLAIB-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.17
Rot. Bonds3

About 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 24844948) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
PubChem CID24844948
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)Oc2cccnc2N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2.ClH/c23-20-18(16-10-5-2-6-11-16)24-17-12-7-13-21-19(17)22(20)14-15-8-3-1-4-9-15;/h1-13,18H,14H2;1H
InChIKeyDRLRTEXYSOLAIB-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 24844948) is 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is Cl.O=C1C(c2ccccc2)Oc2cccnc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is DRLRTEXYSOLAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2.ClH/c23-20-18(16-10-5-2-6-11-16)24-17-12-7-13-21-19(17)22(20)14-15-8-3-1-4-9-15;/h1-13,18H,14H2;1H.
What are the key properties of 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 24844948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).