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

C21H22FN5O — CID 126682230

IUPAC8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnn(Cc2nc3cnc4ccc(F)cc4c3n2[C@@H]2CCO[C@H](C)C2)c1
InChIInChI=1S/C21H22FN5O/c1-13-9-24-26(11-13)12-20-25-19-10-23-18-4-3-15(22)8-17(18)21(19)27(20)16-5-6-28-14(2)7-16/h3-4,8-11,14,16H,5-7,12H2,1-2H3/t14-,16-/m1/s1
InChIKeyJETRLWFFYXRJMR-GDBMZVCRSA-N
MW379.44 g/mol
LogP4.02
Rot. Bonds3

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

8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 126682230) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID126682230
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnn(Cc2nc3cnc4ccc(F)cc4c3n2[C@@H]2CCO[C@H](C)C2)c1
InChIInChI=1S/C21H22FN5O/c1-13-9-24-26(11-13)12-20-25-19-10-23-18-4-3-15(22)8-17(18)21(19)27(20)16-5-6-28-14(2)7-16/h3-4,8-11,14,16H,5-7,12H2,1-2H3/t14-,16-/m1/s1
InChIKeyJETRLWFFYXRJMR-GDBMZVCRSA-N
XLogP4.02
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline (CID 126682230) is 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline is Cc1cnn(Cc2nc3cnc4ccc(F)cc4c3n2[C@@H]2CCO[C@H](C)C2)c1.
What is the InChIKey of 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is JETRLWFFYXRJMR-GDBMZVCRSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-13-9-24-26(11-13)12-20-25-19-10-23-18-4-3-15(22)8-17(18)21(19)27(20)16-5-6-28-14(2)7-16/h3-4,8-11,14,16H,5-7,12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 379.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 126682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).