8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

C21H23F2N3O — CID 142423740

IUPAC8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C21H23F2N3O/c1-12-8-16(6-7-27-12)26-20-17-10-15(23)4-5-18(17)24-11-19(20)25-21(26)13-2-3-14(22)9-13/h4-5,10-14,16H,2-3,6-9H2,1H3/t12-,13?,14?,16-/m1/s1
InChIKeyBYBVLCDFEBESJW-UWLZSVRSSA-N
MW371.43 g/mol
LogP5.07
Rot. Bonds2

About 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline (PubChem CID 142423740) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
PubChem CID142423740
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C21H23F2N3O/c1-12-8-16(6-7-27-12)26-20-17-10-15(23)4-5-18(17)24-11-19(20)25-21(26)13-2-3-14(22)9-13/h4-5,10-14,16H,2-3,6-9H2,1H3/t12-,13?,14?,16-/m1/s1
InChIKeyBYBVLCDFEBESJW-UWLZSVRSSA-N
XLogP5.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline (CID 142423740) is 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline is C[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(F)cc4c32)CCO1.
What is the InChIKey of 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The InChIKey is BYBVLCDFEBESJW-UWLZSVRSSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-12-8-16(6-7-27-12)26-20-17-10-15(23)4-5-18(17)24-11-19(20)25-21(26)13-2-3-14(22)9-13/h4-5,10-14,16H,2-3,6-9H2,1H3/t12-,13?,14?,16-/m1/s1.
What are the key properties of 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline has a molecular weight of 371.43 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).