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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Related Compounds

6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697770
6-bromo-2-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phthalazin-1-one
CID 162731856
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
9-bromo-5-[(4-methoxyphenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
CID 44818605
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
CID 90419144
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
6-bromo-4-[(1S,2R)-2-fluorocyclopropyl]oxy-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 176739497

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).