2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide

C20H21BrN6O2 — CID 59619780

IUPAC2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C20H21BrN6O2/c1-11-18(12(2)26(23-11)10-17(28)24(3)4)27-19-14-8-13(21)6-7-15(14)22-9-16(19)25(5)20(27)29/h6-9H,10H2,1-5H3
InChIKeyJZCLUDNXRNWFLZ-UHFFFAOYSA-N
MW457.33 g/mol
LogP2.54
Rot. Bonds3

About 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide

2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 59619780) has the molecular formula C20H21BrN6O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID59619780
Molecular FormulaC20H21BrN6O2
Molecular Weight457.33 g/mol
Exact Mass456.09
IUPAC Name2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C20H21BrN6O2/c1-11-18(12(2)26(23-11)10-17(28)24(3)4)27-19-14-8-13(21)6-7-15(14)22-9-16(19)25(5)20(27)29/h6-9H,10H2,1-5H3
InChIKeyJZCLUDNXRNWFLZ-UHFFFAOYSA-N
XLogP2.54
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide (CID 59619780) is 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide is Cc1nn(CC(=O)N(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is JZCLUDNXRNWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN6O2/c1-11-18(12(2)26(23-11)10-17(28)24(3)4)27-19-14-8-13(21)6-7-15(14)22-9-16(19)25(5)20(27)29/h6-9H,10H2,1-5H3.
What are the key properties of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 457.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 59619780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).