3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C23H19N5O3 — CID 135599934

IUPAC3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1cccnc1
InChIInChI=1S/C23H19N5O3/c1-13-10-19(31-14-6-5-9-25-12-14)18(30-2)11-17(13)28-22(24)20-21(27-28)15-7-3-4-8-16(15)26-23(20)29/h3-12H,24H2,1-2H3,(H,26,29)
InChIKeyKRSWFJCZXOQGJT-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.95
Rot. Bonds4

About 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599934) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599934
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1cccnc1
InChIInChI=1S/C23H19N5O3/c1-13-10-19(31-14-6-5-9-25-12-14)18(30-2)11-17(13)28-22(24)20-21(27-28)15-7-3-4-8-16(15)26-23(20)29/h3-12H,24H2,1-2H3,(H,26,29)
InChIKeyKRSWFJCZXOQGJT-UHFFFAOYSA-N
XLogP3.95
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-amino-7,8-dimethoxy-2-(4-methyl-3-pyridinyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599954
3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599935
3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599862
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
3-amino-2-[4-phenoxy-2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600024
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-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
CID 23153976
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599934) is 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1cccnc1.
What is the InChIKey of 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is KRSWFJCZXOQGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-13-10-19(31-14-6-5-9-25-12-14)18(30-2)11-17(13)28-22(24)20-21(27-28)15-7-3-4-8-16(15)26-23(20)29/h3-12H,24H2,1-2H3,(H,26,29).
What are the key properties of 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 413.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).