6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H31N5O5 — CID 15982019

IUPAC6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C25H31N5O5/c1-16(31)17-2-4-21-20(12-17)30(24(33)15-35-21)11-10-29-8-6-18(7-9-29)26-13-19-3-5-22-25(27-19)28-23(32)14-34-22/h2-5,12,16,18,26,31H,6-11,13-15H2,1H3,(H,27,28,32)
InChIKeyZFJXFNJHYVVZQG-UHFFFAOYSA-N
MW481.55 g/mol
LogP1.45
Rot. Bonds7

About 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 15982019) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID15982019
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C25H31N5O5/c1-16(31)17-2-4-21-20(12-17)30(24(33)15-35-21)11-10-29-8-6-18(7-9-29)26-13-19-3-5-22-25(27-19)28-23(32)14-34-22/h2-5,12,16,18,26,31H,6-11,13-15H2,1H3,(H,27,28,32)
InChIKeyZFJXFNJHYVVZQG-UHFFFAOYSA-N
XLogP1.45
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 15982019) is 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2.
What is the InChIKey of 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZFJXFNJHYVVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-16(31)17-2-4-21-20(12-17)30(24(33)15-35-21)11-10-29-8-6-18(7-9-29)26-13-19-3-5-22-25(27-19)28-23(32)14-34-22/h2-5,12,16,18,26,31H,6-11,13-15H2,1H3,(H,27,28,32).
What are the key properties of 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 481.55 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[6-(1-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 15982019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).