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-carbonitrile

C24H26N6O4 — CID 15983679

IUPAC3-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-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31)
InChIKeyILRMRAZASPTXGW-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.26
Rot. Bonds6

About 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-carbonitrile

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-carbonitrile (PubChem CID 15983679) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 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-carbonitrile.

Molecular Properties

Compound Name3-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-carbonitrile
PubChem CID15983679
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name3-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-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2
InChIInChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31)
InChIKeyILRMRAZASPTXGW-UHFFFAOYSA-N
XLogP1.26
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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-carbonitrile with MolForge

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Related Compounds

7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073793
6-[({1-[2-(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15981891
Methyl 3-oxo-4-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 15981894
6-[({1-[2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15981895
6-[({1-[2-(7-Methoxy-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982151
6-[({1-[2-(7-Methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982534
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
6-[[[1-[2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15983430
6-[({1-[2-(6-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983550
6-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983553
6-[({1-[2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983677
6-{[(1-{2-[3-Oxo-6-(trifluoromethoxy)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}piperidin-4-yl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983680

Frequently Asked Questions

What is the IUPAC name of 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-carbonitrile?
The IUPAC name of 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-carbonitrile (CID 15983679) is 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-carbonitrile.
What is the SMILES notation for 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-carbonitrile?
The canonical SMILES for 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-carbonitrile is N#Cc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2.
What is the InChIKey of 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-carbonitrile?
The InChIKey is ILRMRAZASPTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31).
What are the key properties of 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-carbonitrile?
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-carbonitrile has a molecular weight of 462.51 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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-carbonitrile is sourced from PubChem (CID 15983679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).