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

C20H19FN4OS — CID 142423938

IUPAC2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1C[C@H](n2c(Cc3nccs3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C20H19FN4OS/c1-12-8-14(4-6-26-12)25-18(10-19-22-5-7-27-19)24-17-11-23-16-3-2-13(21)9-15(16)20(17)25/h2-3,5,7,9,11-12,14H,4,6,8,10H2,1H3/t12-,14-/m1/s1
InChIKeyXZPDNSLAJUCFOU-TZMCWYRMSA-N
MW382.46 g/mol
LogP4.51
Rot. Bonds3

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

2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole (PubChem CID 142423938) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
PubChem CID142423938
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1C[C@H](n2c(Cc3nccs3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C20H19FN4OS/c1-12-8-14(4-6-26-12)25-18(10-19-22-5-7-27-19)24-17-11-23-16-3-2-13(21)9-15(16)20(17)25/h2-3,5,7,9,11-12,14H,4,6,8,10H2,1H3/t12-,14-/m1/s1
InChIKeyXZPDNSLAJUCFOU-TZMCWYRMSA-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 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole (CID 142423938) is 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole is C[C@@H]1C[C@H](n2c(Cc3nccs3)nc3cnc4ccc(F)cc4c32)CCO1.
What is the InChIKey of 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
The InChIKey is XZPDNSLAJUCFOU-TZMCWYRMSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-12-8-14(4-6-26-12)25-18(10-19-22-5-7-27-19)24-17-11-23-16-3-2-13(21)9-15(16)20(17)25/h2-3,5,7,9,11-12,14H,4,6,8,10H2,1H3/t12-,14-/m1/s1.
What are the key properties of 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole?
2-[[8-fluoro-1-[(2R,4R)-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 2-[[8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 142423938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).