2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide

C22H22N4O2 — CID 1383218

IUPAC2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C22H22N4O2/c1-4-26-21-17(13-15-12-14(3)10-11-18(15)23-21)20(25-26)24-22(27)16-8-6-7-9-19(16)28-5-2/h6-13H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyGMGCJNPOAMWARO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.56
Rot. Bonds5

About 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide

2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide (PubChem CID 1383218) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
PubChem CID1383218
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C22H22N4O2/c1-4-26-21-17(13-15-12-14(3)10-11-18(15)23-21)20(25-26)24-22(27)16-8-6-7-9-19(16)28-5-2/h6-13H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyGMGCJNPOAMWARO-UHFFFAOYSA-N
XLogP4.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide (CID 1383218) is 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide is CCOc1ccccc1C(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12.
What is the InChIKey of 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The InChIKey is GMGCJNPOAMWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-26-21-17(13-15-12-14(3)10-11-18(15)23-21)20(25-26)24-22(27)16-8-6-7-9-19(16)28-5-2/h6-13H,4-5H2,1-3H3,(H,24,25,27).
What are the key properties of 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide is sourced from PubChem (CID 1383218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).