2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C21H19ClN2O2 — CID 24844947

IUPAC2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)Oc2cccnc2N1CCc1ccccc1
InChIInChI=1S/C21H18N2O2.ClH/c24-21-19(17-10-5-2-6-11-17)25-18-12-7-14-22-20(18)23(21)15-13-16-8-3-1-4-9-16;/h1-12,14,19H,13,15H2;1H
InChIKeyOZKGWEHVJVDPAW-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.21
Rot. Bonds4

About 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 24844947) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
PubChem CID24844947
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)Oc2cccnc2N1CCc1ccccc1
InChIInChI=1S/C21H18N2O2.ClH/c24-21-19(17-10-5-2-6-11-17)25-18-12-7-14-22-20(18)23(21)15-13-16-8-3-1-4-9-16;/h1-12,14,19H,13,15H2;1H
InChIKeyOZKGWEHVJVDPAW-UHFFFAOYSA-N
XLogP4.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 24844947) is 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is Cl.O=C1C(c2ccccc2)Oc2cccnc2N1CCc1ccccc1.
What is the InChIKey of 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is OZKGWEHVJVDPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2.ClH/c24-21-19(17-10-5-2-6-11-17)25-18-12-7-14-22-20(18)23(21)15-13-16-8-3-1-4-9-16;/h1-12,14,19H,13,15H2;1H.
What are the key properties of 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 24844947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).