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

C18H15BrN4O2 — CID 135600030

IUPAC3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Br
InChIInChI=1S/C18H15BrN4O2/c1-9-7-11(19)14(25-2)8-13(9)23-17(20)15-16(22-23)10-5-3-4-6-12(10)21-18(15)24/h3-8H,20H2,1-2H3,(H,21,24)
InChIKeyVJCCZVSMDGQHIY-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.53
Rot. Bonds2

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

3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135600030) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135600030
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Br
InChIInChI=1S/C18H15BrN4O2/c1-9-7-11(19)14(25-2)8-13(9)23-17(20)15-16(22-23)10-5-3-4-6-12(10)21-18(15)24/h3-8H,20H2,1-2H3,(H,21,24)
InChIKeyVJCCZVSMDGQHIY-UHFFFAOYSA-N
XLogP3.53
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135600030) is 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Br.
What is the InChIKey of 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is VJCCZVSMDGQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-9-7-11(19)14(25-2)8-13(9)23-17(20)15-16(22-23)10-5-3-4-6-12(10)21-18(15)24/h3-8H,20H2,1-2H3,(H,21,24).
What are the key properties of 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 399.25 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135600030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).