1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid

C15H10BrN5O2 — CID 135931090

IUPAC1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc2c([nH]1)c(Br)cc1nc(-n3cc(C(=O)O)cn3)nc12
InChIInChI=1S/C15H10BrN5O2/c1-7-2-3-9-12(18-7)10(16)4-11-13(9)20-15(19-11)21-6-8(5-17-21)14(22)23/h2-6,18H,1H3,(H,22,23)
InChIKeyOJFUDQQTLXRPGA-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.07
Rot. Bonds2

About 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid

1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 135931090) has the molecular formula C15H10BrN5O2 and a molecular weight of 372.18 g/mol. Its IUPAC name is 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID135931090
Molecular FormulaC15H10BrN5O2
Molecular Weight372.18 g/mol
Exact Mass371.00
IUPAC Name1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc2c([nH]1)c(Br)cc1nc(-n3cc(C(=O)O)cn3)nc12
InChIInChI=1S/C15H10BrN5O2/c1-7-2-3-9-12(18-7)10(16)4-11-13(9)20-15(19-11)21-6-8(5-17-21)14(22)23/h2-6,18H,1H3,(H,22,23)
InChIKeyOJFUDQQTLXRPGA-UHFFFAOYSA-N
XLogP3.07
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid (CID 135931090) is 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid is Cc1ccc2c([nH]1)c(Br)cc1nc(-n3cc(C(=O)O)cn3)nc12.
What is the InChIKey of 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is OJFUDQQTLXRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5O2/c1-7-2-3-9-12(18-7)10(16)4-11-13(9)20-15(19-11)21-6-8(5-17-21)14(22)23/h2-6,18H,1H3,(H,22,23).
What are the key properties of 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid?
1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 372.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 135931090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).