2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile

C25H26N6O3 — CID 15983305

IUPAC2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H26N6O3/c26-14-17-1-2-18-3-6-24(33)31(21(18)13-17)12-11-30-9-7-19(8-10-30)27-15-20-4-5-22-25(28-20)29-23(32)16-34-22/h1-6,13,19,27H,7-12,15-16H2,(H,28,29,32)
InChIKeyZACXSFNHRGSGEK-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.85
Rot. Bonds6

About 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile

2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile (PubChem CID 15983305) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile
PubChem CID15983305
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H26N6O3/c26-14-17-1-2-18-3-6-24(33)31(21(18)13-17)12-11-30-9-7-19(8-10-30)27-15-20-4-5-22-25(28-20)29-23(32)16-34-22/h1-6,13,19,27H,7-12,15-16H2,(H,28,29,32)
InChIKeyZACXSFNHRGSGEK-UHFFFAOYSA-N
XLogP1.85
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile?
The IUPAC name of 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile (CID 15983305) is 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile.
What is the SMILES notation for 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile?
The canonical SMILES for 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile is N#Cc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile?
The InChIKey is ZACXSFNHRGSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c26-14-17-1-2-18-3-6-24(33)31(21(18)13-17)12-11-30-9-7-19(8-10-30)27-15-20-4-5-22-25(28-20)29-23(32)16-34-22/h1-6,13,19,27H,7-12,15-16H2,(H,28,29,32).
What are the key properties of 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile?
2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile has a molecular weight of 458.52 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile is sourced from PubChem (CID 15983305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).