2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

C24H26N4O2 — CID 1397929

IUPAC2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12
InChIInChI=1S/C24H26N4O2/c1-5-30-21-9-7-6-8-18(21)24(29)26-22-19-13-17-11-10-16(4)12-20(17)25-23(19)28(27-22)14-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,26,27,29)
InChIKeyPKKCMWBXSYNOFO-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.20
Rot. Bonds6

About 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (PubChem CID 1397929) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
PubChem CID1397929
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12
InChIInChI=1S/C24H26N4O2/c1-5-30-21-9-7-6-8-18(21)24(29)26-22-19-13-17-11-10-16(4)12-20(17)25-23(19)28(27-22)14-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,26,27,29)
InChIKeyPKKCMWBXSYNOFO-UHFFFAOYSA-N
XLogP5.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (CID 1397929) is 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12.
What is the InChIKey of 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The InChIKey is PKKCMWBXSYNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-30-21-9-7-6-8-18(21)24(29)26-22-19-13-17-11-10-16(4)12-20(17)25-23(19)28(27-22)14-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,26,27,29).
What are the key properties of 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is sourced from PubChem (CID 1397929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).