methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate

C25H29N5O6 — CID 15981894

IUPACmethyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C25H29N5O6/c1-34-25(33)16-2-4-20-19(12-16)30(23(32)15-36-20)11-10-29-8-6-17(7-9-29)26-13-18-3-5-21-24(27-18)28-22(31)14-35-21/h2-5,12,17,26H,6-11,13-15H2,1H3,(H,27,28,31)
InChIKeyPNCOYZRWNSWTLL-UHFFFAOYSA-N
MW495.54 g/mol
LogP1.18
Rot. Bonds7

About methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate

methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate (PubChem CID 15981894) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate
PubChem CID15981894
Molecular FormulaC25H29N5O6
Molecular Weight495.54 g/mol
Exact Mass495.21
IUPAC Namemethyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C25H29N5O6/c1-34-25(33)16-2-4-20-19(12-16)30(23(32)15-36-20)11-10-29-8-6-17(7-9-29)26-13-18-3-5-21-24(27-18)28-22(31)14-35-21/h2-5,12,17,26H,6-11,13-15H2,1H3,(H,27,28,31)
InChIKeyPNCOYZRWNSWTLL-UHFFFAOYSA-N
XLogP1.18
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate?
The IUPAC name of methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate (CID 15981894) is methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate is COC(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2.
What is the InChIKey of methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate?
The InChIKey is PNCOYZRWNSWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-34-25(33)16-2-4-20-19(12-16)30(23(32)15-36-20)11-10-29-8-6-17(7-9-29)26-13-18-3-5-21-24(27-18)28-22(31)14-35-21/h2-5,12,17,26H,6-11,13-15H2,1H3,(H,27,28,31).
What are the key properties of methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate?
methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate has a molecular weight of 495.54 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 15981894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).