3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C18H16N4O — CID 135599935

IUPAC3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C18H16N4O/c1-10-7-8-11(2)14(9-10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyIBZUSVZKJDXYGA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.07
Rot. Bonds1

About 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599935) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599935
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C18H16N4O/c1-10-7-8-11(2)14(9-10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyIBZUSVZKJDXYGA-UHFFFAOYSA-N
XLogP3.07
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599862
3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599933
3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600016
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599934
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
3-amino-2-[4-phenoxy-2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600024
3-amino-7,8-dimethoxy-2-(4-methyl-3-pyridinyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599954
3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599922
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599935) is 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is IBZUSVZKJDXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-10-7-8-11(2)14(9-10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).