4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole

C20H19FN4OS — CID 126666716

IUPAC4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
SMILESC[C@H]1C[C@@H](n2c(Cc3cscn3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C20H19FN4OS/c1-12-6-15(4-5-26-12)25-19(8-14-10-27-11-23-14)24-18-9-22-17-3-2-13(21)7-16(17)20(18)25/h2-3,7,9-12,15H,4-6,8H2,1H3/t12-,15-/m0/s1
InChIKeyCWXJIPRZGYTNPM-WFASDCNBSA-N
MW382.46 g/mol
LogP4.51
Rot. Bonds3

About 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole

4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole (PubChem CID 126666716) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
PubChem CID126666716
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
SMILESC[C@H]1C[C@@H](n2c(Cc3cscn3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C20H19FN4OS/c1-12-6-15(4-5-26-12)25-19(8-14-10-27-11-23-14)24-18-9-22-17-3-2-13(21)7-16(17)20(18)25/h2-3,7,9-12,15H,4-6,8H2,1H3/t12-,15-/m0/s1
InChIKeyCWXJIPRZGYTNPM-WFASDCNBSA-N
XLogP4.51
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole (CID 126666716) is 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole is C[C@H]1C[C@@H](n2c(Cc3cscn3)nc3cnc4ccc(F)cc4c32)CCO1.
What is the InChIKey of 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The InChIKey is CWXJIPRZGYTNPM-WFASDCNBSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-12-6-15(4-5-26-12)25-19(8-14-10-27-11-23-14)24-18-9-22-17-3-2-13(21)7-16(17)20(18)25/h2-3,7,9-12,15H,4-6,8H2,1H3/t12-,15-/m0/s1.
What are the key properties of 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole has a molecular weight of 382.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126666716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).