N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

C32H32N6O3 — CID 70942199

IUPACN-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESCCOCC1(NC(=O)c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4n3)cc2)CCOCC1
InChIInChI=1S/C32H32N6O3/c1-2-40-21-31(13-16-41-17-14-31)36-29(39)23-7-5-22(6-8-23)27-19-34-30-35-20-28(38(30)37-27)32(11-12-32)25-9-10-26-24(18-25)4-3-15-33-26/h3-10,15,18-20H,2,11-14,16-17,21H2,1H3,(H,36,39)
InChIKeyXOGLTEXPDCHOPC-UHFFFAOYSA-N
MW548.65 g/mol
LogP4.73
Rot. Bonds8

About N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (PubChem CID 70942199) has the molecular formula C32H32N6O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
PubChem CID70942199
Molecular FormulaC32H32N6O3
Molecular Weight548.65 g/mol
Exact Mass548.25
IUPAC NameN-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESCCOCC1(NC(=O)c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4n3)cc2)CCOCC1
InChIInChI=1S/C32H32N6O3/c1-2-40-21-31(13-16-41-17-14-31)36-29(39)23-7-5-22(6-8-23)27-19-34-30-35-20-28(38(30)37-27)32(11-12-32)25-9-10-26-24(18-25)4-3-15-33-26/h3-10,15,18-20H,2,11-14,16-17,21H2,1H3,(H,36,39)
InChIKeyXOGLTEXPDCHOPC-UHFFFAOYSA-N
XLogP4.73
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The IUPAC name of N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (CID 70942199) is N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.
What is the SMILES notation for N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The canonical SMILES for N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is CCOCC1(NC(=O)c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4n3)cc2)CCOCC1.
What is the InChIKey of N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The InChIKey is XOGLTEXPDCHOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3/c1-2-40-21-31(13-16-41-17-14-31)36-29(39)23-7-5-22(6-8-23)27-19-34-30-35-20-28(38(30)37-27)32(11-12-32)25-9-10-26-24(18-25)4-3-15-33-26/h3-10,15,18-20H,2,11-14,16-17,21H2,1H3,(H,36,39).
What are the key properties of N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide has a molecular weight of 548.65 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is sourced from PubChem (CID 70942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).