8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one

C18H14BrN3O2 — CID 58412378

IUPAC8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one
SMILESCOc1ccc(Cn2ncc3c4cc(Br)ccc4[nH]c(=O)c32)cc1
InChIInChI=1S/C18H14BrN3O2/c1-24-13-5-2-11(3-6-13)10-22-17-15(9-20-22)14-8-12(19)4-7-16(14)21-18(17)23/h2-9H,10H2,1H3,(H,21,23)
InChIKeyWIRCPBAVBOBNTA-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.70
Rot. Bonds3

About 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one

8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one (PubChem CID 58412378) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one.

Molecular Properties

Compound Name8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one
PubChem CID58412378
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one
SMILESCOc1ccc(Cn2ncc3c4cc(Br)ccc4[nH]c(=O)c32)cc1
InChIInChI=1S/C18H14BrN3O2/c1-24-13-5-2-11(3-6-13)10-22-17-15(9-20-22)14-8-12(19)4-7-16(14)21-18(17)23/h2-9H,10H2,1H3,(H,21,23)
InChIKeyWIRCPBAVBOBNTA-UHFFFAOYSA-N
XLogP3.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one?
The IUPAC name of 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one (CID 58412378) is 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one.
What is the SMILES notation for 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one?
The canonical SMILES for 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one is COc1ccc(Cn2ncc3c4cc(Br)ccc4[nH]c(=O)c32)cc1.
What is the InChIKey of 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one?
The InChIKey is WIRCPBAVBOBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-24-13-5-2-11(3-6-13)10-22-17-15(9-20-22)14-8-12(19)4-7-16(14)21-18(17)23/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one?
8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one has a molecular weight of 384.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one is sourced from PubChem (CID 58412378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).