2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

C21H27Cl2N3O2 — CID 24844931

IUPAC2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCCC1Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O.Cl.Cl
InChIInChI=1S/C21H25N3O2.2ClH/c1-2-18-21(25)24(20-19(26-18)11-8-12-22-20)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16;;/h3-5,8-12,17-18H,2,6-7,13-15H2,1H3;2*1H
InChIKeyIJDPMIZHGLXRHN-UHFFFAOYSA-N
MW424.37 g/mol
LogP4.27
Rot. Bonds5

About 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (PubChem CID 24844931) has the molecular formula C21H27Cl2N3O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
PubChem CID24844931
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.37 g/mol
Exact Mass423.15
IUPAC Name2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCCC1Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O.Cl.Cl
InChIInChI=1S/C21H25N3O2.2ClH/c1-2-18-21(25)24(20-19(26-18)11-8-12-22-20)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16;;/h3-5,8-12,17-18H,2,6-7,13-15H2,1H3;2*1H
InChIKeyIJDPMIZHGLXRHN-UHFFFAOYSA-N
XLogP4.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The IUPAC name of 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (CID 24844931) is 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.
What is the SMILES notation for 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The canonical SMILES for 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is CCC1Oc2cccnc2N(C(CN2CCCC2)c2ccccc2)C1=O.Cl.Cl.
What is the InChIKey of 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The InChIKey is IJDPMIZHGLXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.2ClH/c1-2-18-21(25)24(20-19(26-18)11-8-12-22-20)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16;;/h3-5,8-12,17-18H,2,6-7,13-15H2,1H3;2*1H.
What are the key properties of 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride has a molecular weight of 424.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is sourced from PubChem (CID 24844931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).