6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile

C22H18F2N4O — CID 133310198

IUPAC6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C#N)cnc12
InChIInChI=1S/C22H18F2N4O/c1-14-9-18(24)11-19-20(14)26-13-16(12-25)21(19)27-5-7-28(8-6-27)22(29)15-3-2-4-17(23)10-15/h2-4,9-11,13H,5-8H2,1H3
InChIKeyVRFLZMWZVNDKRW-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.66
Rot. Bonds2

About 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile

6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile (PubChem CID 133310198) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
PubChem CID133310198
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C#N)cnc12
InChIInChI=1S/C22H18F2N4O/c1-14-9-18(24)11-19-20(14)26-13-16(12-25)21(19)27-5-7-28(8-6-27)22(29)15-3-2-4-17(23)10-15/h2-4,9-11,13H,5-8H2,1H3
InChIKeyVRFLZMWZVNDKRW-UHFFFAOYSA-N
XLogP3.66
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316583
6-fluoro-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 133306222
6-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133318000
4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133306262
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197
6-fluoro-8-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]quinoline-3-carbonitrile
CID 133310553
2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098
6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316889
6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 133317309
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 127358888
4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133453787
6,8-dimethyl-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133342867

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile (CID 133310198) is 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile?
The InChIKey is VRFLZMWZVNDKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-14-9-18(24)11-19-20(14)26-13-16(12-25)21(19)27-5-7-28(8-6-27)22(29)15-3-2-4-17(23)10-15/h2-4,9-11,13H,5-8H2,1H3.
What are the key properties of 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile?
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile has a molecular weight of 392.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 133310198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).