8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline

C21H19ClFN5 — CID 142423846

IUPAC8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CC[C@H](F)C2)cn1
InChIInChI=1S/C21H19ClFN5/c1-12-9-25-15(10-24-12)8-20-27-19-11-26-18-5-2-13(22)6-17(18)21(19)28(20)16-4-3-14(23)7-16/h2,5-6,9-11,14,16H,3-4,7-8H2,1H3/t14-,16+/m0/s1
InChIKeyQIJDEXFHDZBGPL-GOEBONIOSA-N
MW395.87 g/mol
LogP4.99
Rot. Bonds3

About 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline

8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 142423846) has the molecular formula C21H19ClFN5 and a molecular weight of 395.87 g/mol. Its IUPAC name is 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID142423846
Molecular FormulaC21H19ClFN5
Molecular Weight395.87 g/mol
Exact Mass395.13
IUPAC Name8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CC[C@H](F)C2)cn1
InChIInChI=1S/C21H19ClFN5/c1-12-9-25-15(10-24-12)8-20-27-19-11-26-18-5-2-13(22)6-17(18)21(19)28(20)16-4-3-14(23)7-16/h2,5-6,9-11,14,16H,3-4,7-8H2,1H3/t14-,16+/m0/s1
InChIKeyQIJDEXFHDZBGPL-GOEBONIOSA-N
XLogP4.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (CID 142423846) is 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CC[C@H](F)C2)cn1.
What is the InChIKey of 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is QIJDEXFHDZBGPL-GOEBONIOSA-N. The full InChI is InChI=1S/C21H19ClFN5/c1-12-9-25-15(10-24-12)8-20-27-19-11-26-18-5-2-13(22)6-17(18)21(19)28(20)16-4-3-14(23)7-16/h2,5-6,9-11,14,16H,3-4,7-8H2,1H3/t14-,16+/m0/s1.
What are the key properties of 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 395.87 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).