6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

C19H18FN5 — CID 133453595

IUPAC6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCCC(c4ncc[nH]4)C3)c(C#N)cnc12
InChIInChI=1S/C19H18FN5/c1-12-7-15(20)8-16-17(12)24-10-14(9-21)18(16)25-6-2-3-13(11-25)19-22-4-5-23-19/h4-5,7-8,10,13H,2-3,6,11H2,1H3,(H,22,23)
InChIKeyCLZOIQCRKJBMJZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.66
Rot. Bonds2

About 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (PubChem CID 133453595) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
PubChem CID133453595
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCCC(c4ncc[nH]4)C3)c(C#N)cnc12
InChIInChI=1S/C19H18FN5/c1-12-7-15(20)8-16-17(12)24-10-14(9-21)18(16)25-6-2-3-13(11-25)19-22-4-5-23-19/h4-5,7-8,10,13H,2-3,6,11H2,1H3,(H,22,23)
InChIKeyCLZOIQCRKJBMJZ-UHFFFAOYSA-N
XLogP3.66
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (CID 133453595) is 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(N3CCCC(c4ncc[nH]4)C3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The InChIKey is CLZOIQCRKJBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-12-7-15(20)8-16-17(12)24-10-14(9-21)18(16)25-6-2-3-13(11-25)19-22-4-5-23-19/h4-5,7-8,10,13H,2-3,6,11H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile has a molecular weight of 335.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 133453595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).