4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one

C19H24N4O4 — CID 72919153

IUPAC4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CN1C(=O)COc3cccnc31)C2
InChIInChI=1S/C19H24N4O4/c1-2-8-22-14-6-5-13(19(22)26)9-21(10-14)16(24)11-23-17(25)12-27-15-4-3-7-20-18(15)23/h3-4,7,13-14H,2,5-6,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyVPUWEHQTLNFPQS-UONOGXRCSA-N
MW372.43 g/mol
LogP0.67
Rot. Bonds4

About 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72919153) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72919153
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CN1C(=O)COc3cccnc31)C2
InChIInChI=1S/C19H24N4O4/c1-2-8-22-14-6-5-13(19(22)26)9-21(10-14)16(24)11-23-17(25)12-27-15-4-3-7-20-18(15)23/h3-4,7,13-14H,2,5-6,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyVPUWEHQTLNFPQS-UONOGXRCSA-N
XLogP0.67
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72919153) is 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one is CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CN1C(=O)COc3cccnc31)C2.
What is the InChIKey of 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VPUWEHQTLNFPQS-UONOGXRCSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-8-22-14-6-5-13(19(22)26)9-21(10-14)16(24)11-23-17(25)12-27-15-4-3-7-20-18(15)23/h3-4,7,13-14H,2,5-6,8-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 372.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72919153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).