3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide

C22H22N4O3 — CID 71539702

IUPAC3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(C(=O)NCCOC)c3)cc21
InChIInChI=1S/C22H22N4O3/c1-3-26-19-12-15(7-8-17(19)20-18(22(26)28)13-24-25-20)14-5-4-6-16(11-14)21(27)23-9-10-29-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyLHUIEEFZLVBSPR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.94
Rot. Bonds6

About 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide

3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 71539702) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide
PubChem CID71539702
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(C(=O)NCCOC)c3)cc21
InChIInChI=1S/C22H22N4O3/c1-3-26-19-12-15(7-8-17(19)20-18(22(26)28)13-24-25-20)14-5-4-6-16(11-14)21(27)23-9-10-29-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyLHUIEEFZLVBSPR-UHFFFAOYSA-N
XLogP2.94
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Epz005687
CID 60160561
5-(3-aminopropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443798
2-(4-(2-morpholinoethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226282
1H-Indazole-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]-
CID 60160560
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052097
3-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 17534262
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-morpholinyl)benzamide
CID 24819013
8-(2-Amino-acetyl)-5-ethyl-3-methyl-2,5,7,8,9,10-hexahydro-1,2,5,8-tetraaza-cyclopenta[a]anthracen-4-one
CID 44443782
(S)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443802
(R)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443803
3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholinophenyl)benzamide
CID 44580731
8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-1H-quinoline-2-carboxamide
CID 46232642

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide (CID 71539702) is 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide is CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(C(=O)NCCOC)c3)cc21.
What is the InChIKey of 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is LHUIEEFZLVBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-26-19-12-15(7-8-17(19)20-18(22(26)28)13-24-25-20)14-5-4-6-16(11-14)21(27)23-9-10-29-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide?
3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 71539702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).