8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one

C21H18BrN3O — CID 141318530

IUPAC8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC1(C)CCc2cc(-n3c(=O)[nH]c4cnc5ccc(Br)cc5c43)ccc21
InChIInChI=1S/C21H18BrN3O/c1-21(2)8-7-12-9-14(4-5-16(12)21)25-19-15-10-13(22)3-6-17(15)23-11-18(19)24-20(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,24,26)
InChIKeyHGZJCUDORAKQOC-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.85
Rot. Bonds1

About 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one

8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 141318530) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID141318530
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC1(C)CCc2cc(-n3c(=O)[nH]c4cnc5ccc(Br)cc5c43)ccc21
InChIInChI=1S/C21H18BrN3O/c1-21(2)8-7-12-9-14(4-5-16(12)21)25-19-15-10-13(22)3-6-17(15)23-11-18(19)24-20(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,24,26)
InChIKeyHGZJCUDORAKQOC-UHFFFAOYSA-N
XLogP4.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 141318530) is 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one is CC1(C)CCc2cc(-n3c(=O)[nH]c4cnc5ccc(Br)cc5c43)ccc21.
What is the InChIKey of 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is HGZJCUDORAKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c1-21(2)8-7-12-9-14(4-5-16(12)21)25-19-15-10-13(22)3-6-17(15)23-11-18(19)24-20(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,24,26).
What are the key properties of 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 408.30 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 141318530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).