3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione

C18H16N4O3 — CID 23154042

IUPAC3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
SMILESCOc1cc(=O)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)[nH]c12
InChIInChI=1S/C18H16N4O3/c1-9-5-3-4-6-12(9)22-17(19)15-16(21-22)14-11(20-18(15)24)7-10(25-2)8-13(14)23/h3-8,21H,19H2,1-2H3,(H,20,24)
InChIKeyFSBHEYVKECGGLF-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.06
Rot. Bonds2

About 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione

3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione (PubChem CID 23154042) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione.

Molecular Properties

Compound Name3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
PubChem CID23154042
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
SMILESCOc1cc(=O)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)[nH]c12
InChIInChI=1S/C18H16N4O3/c1-9-5-3-4-6-12(9)22-17(19)15-16(21-22)14-11(20-18(15)24)7-10(25-2)8-13(14)23/h3-8,21H,19H2,1-2H3,(H,20,24)
InChIKeyFSBHEYVKECGGLF-UHFFFAOYSA-N
XLogP2.06
TPSA105.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599922
3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
CID 23153976
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-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
CID 23154016
3-amino-7-methoxy-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]quinoline-4,9-dione
CID 59023418
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
5-hydroxy-7-methoxy-2-phenyl-1H-quinolin-4-one
CID 10084324
3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600027
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one
CID 11346667

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione?
The IUPAC name of 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione (CID 23154042) is 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione.
What is the SMILES notation for 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione?
The canonical SMILES for 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione is COc1cc(=O)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)[nH]c12.
What is the InChIKey of 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione?
The InChIKey is FSBHEYVKECGGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-9-5-3-4-6-12(9)22-17(19)15-16(21-22)14-11(20-18(15)24)7-10(25-2)8-13(14)23/h3-8,21H,19H2,1-2H3,(H,20,24).
What are the key properties of 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione?
3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione has a molecular weight of 336.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione is sourced from PubChem (CID 23154042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).