4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C14H19N3O2 — CID 72931501

IUPAC4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1CCCC1CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H19N3O2/c1-2-16-8-4-5-11(16)9-17-13(18)10-19-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyZIFSGHLZBQUCTB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.29
Rot. Bonds3

About 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72931501) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72931501
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1CCCC1CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H19N3O2/c1-2-16-8-4-5-11(16)9-17-13(18)10-19-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyZIFSGHLZBQUCTB-UHFFFAOYSA-N
XLogP1.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72931501) is 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is CCN1CCCC1CN1C(=O)COc2cccnc21.
What is the InChIKey of 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZIFSGHLZBQUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-8-4-5-11(16)9-17-13(18)10-19-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72931501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).