3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C21H22N4O4 — CID 135599922

IUPAC3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12
InChIInChI=1S/C21H22N4O4/c1-12-6-4-5-7-15(12)25-20(22)18-19(24-25)17-14(23-21(18)26)10-13(28-3)11-16(17)29-9-8-27-2/h4-7,10-11H,8-9,22H2,1-3H3,(H,23,26)
InChIKeyZCCPCVYAXKRYDX-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599922) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599922
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12
InChIInChI=1S/C21H22N4O4/c1-12-6-4-5-7-15(12)25-20(22)18-19(24-25)17-14(23-21(18)26)10-13(28-3)11-16(17)29-9-8-27-2/h4-7,10-11H,8-9,22H2,1-3H3,(H,23,26)
InChIKeyZCCPCVYAXKRYDX-UHFFFAOYSA-N
XLogP2.79
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
CID 135600007
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600027
3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
CID 23154042
3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599862
3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599935
3-amino-7,8-dimethoxy-2-(4-methyl-3-pyridinyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599954
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153910
6,14-diamino-15-(5-hydroxy-2-methylphenyl)-8-oxa-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-12-one
CID 136966790

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599922) is 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12.
What is the InChIKey of 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZCCPCVYAXKRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12-6-4-5-7-15(12)25-20(22)18-19(24-25)17-14(23-21(18)26)10-13(28-3)11-16(17)29-9-8-27-2/h4-7,10-11H,8-9,22H2,1-3H3,(H,23,26).
What are the key properties of 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).