4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one

C21H23N3O3 — CID 97273464

IUPAC4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C(CN1C(=O)COc2cccnc21)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-19(14-24-20(26)15-27-18-9-4-11-22-21(18)24)23-12-5-8-17(10-13-23)16-6-2-1-3-7-16/h1-4,6-7,9,11,17H,5,8,10,12-15H2/t17-/m1/s1
InChIKeyWFLDMCDTBRBFSO-QGZVFWFLSA-N
MW365.43 g/mol
LogP2.60
Rot. Bonds3

About 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 97273464) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID97273464
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C(CN1C(=O)COc2cccnc21)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-19(14-24-20(26)15-27-18-9-4-11-22-21(18)24)23-12-5-8-17(10-13-23)16-6-2-1-3-7-16/h1-4,6-7,9,11,17H,5,8,10,12-15H2/t17-/m1/s1
InChIKeyWFLDMCDTBRBFSO-QGZVFWFLSA-N
XLogP2.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 97273464) is 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C(CN1C(=O)COc2cccnc21)N1CCC[C@@H](c2ccccc2)CC1.
What is the InChIKey of 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WFLDMCDTBRBFSO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19(14-24-20(26)15-27-18-9-4-11-22-21(18)24)23-12-5-8-17(10-13-23)16-6-2-1-3-7-16/h1-4,6-7,9,11,17H,5,8,10,12-15H2/t17-/m1/s1.
What are the key properties of 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 365.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 97273464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).