2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide

C21H23BrN4O2 — CID 170338188

IUPAC2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide
SMILESC[C@@H]1C[C@H](n2c(CC(=O)NC3CC3)nc3cnc4ccc(Br)cc4c32)CCO1
InChIInChI=1S/C21H23BrN4O2/c1-12-8-15(6-7-28-12)26-19(10-20(27)24-14-3-4-14)25-18-11-23-17-5-2-13(22)9-16(17)21(18)26/h2,5,9,11-12,14-15H,3-4,6-8,10H2,1H3,(H,24,27)/t12-,15-/m1/s1
InChIKeyQCCLIQDOGWYLKY-IUODEOHRSA-N
MW443.35 g/mol
LogP3.91
Rot. Bonds4

About 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide

2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide (PubChem CID 170338188) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide
PubChem CID170338188
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide
SMILESC[C@@H]1C[C@H](n2c(CC(=O)NC3CC3)nc3cnc4ccc(Br)cc4c32)CCO1
InChIInChI=1S/C21H23BrN4O2/c1-12-8-15(6-7-28-12)26-19(10-20(27)24-14-3-4-14)25-18-11-23-17-5-2-13(22)9-16(17)21(18)26/h2,5,9,11-12,14-15H,3-4,6-8,10H2,1H3,(H,24,27)/t12-,15-/m1/s1
InChIKeyQCCLIQDOGWYLKY-IUODEOHRSA-N
XLogP3.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide (CID 170338188) is 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide is C[C@@H]1C[C@H](n2c(CC(=O)NC3CC3)nc3cnc4ccc(Br)cc4c32)CCO1.
What is the InChIKey of 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide?
The InChIKey is QCCLIQDOGWYLKY-IUODEOHRSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-12-8-15(6-7-28-12)26-19(10-20(27)24-14-3-4-14)25-18-11-23-17-5-2-13(22)9-16(17)21(18)26/h2,5,9,11-12,14-15H,3-4,6-8,10H2,1H3,(H,24,27)/t12-,15-/m1/s1.
What are the key properties of 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide?
2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide has a molecular weight of 443.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 170338188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).