3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole

C20H19ClN4O2 — CID 126666729

IUPAC3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
SMILESC[C@@H]1C[C@H](n2c(Cc3ccon3)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C20H19ClN4O2/c1-12-8-15(5-6-26-12)25-19(10-14-4-7-27-24-14)23-18-11-22-17-3-2-13(21)9-16(17)20(18)25/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3/t12-,15-/m1/s1
InChIKeyOOGIHXDZTSDVIB-IUODEOHRSA-N
MW382.85 g/mol
LogP4.56
Rot. Bonds3

About 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole

3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole (PubChem CID 126666729) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
PubChem CID126666729
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
SMILESC[C@@H]1C[C@H](n2c(Cc3ccon3)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C20H19ClN4O2/c1-12-8-15(5-6-26-12)25-19(10-14-4-7-27-24-14)23-18-11-22-17-3-2-13(21)9-16(17)20(18)25/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3/t12-,15-/m1/s1
InChIKeyOOGIHXDZTSDVIB-IUODEOHRSA-N
XLogP4.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole (CID 126666729) is 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole is C[C@@H]1C[C@H](n2c(Cc3ccon3)nc3cnc4ccc(Cl)cc4c32)CCO1.
What is the InChIKey of 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole?
The InChIKey is OOGIHXDZTSDVIB-IUODEOHRSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-8-15(5-6-26-12)25-19(10-14-4-7-27-24-14)23-18-11-22-17-3-2-13(21)9-16(17)20(18)25/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3/t12-,15-/m1/s1.
What are the key properties of 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole?
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole has a molecular weight of 382.85 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126666729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).