4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile

C23H23FN4O — CID 162657893

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile
SMILESCC(C)Oc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12
InChIInChI=1S/C23H23FN4O/c1-16(2)29-21-9-5-6-18-22(21)26-15-17(14-25)23(18)28-12-10-27(11-13-28)20-8-4-3-7-19(20)24/h3-9,15-16H,10-13H2,1-2H3
InChIKeyWEBXONZQIONYBK-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.36
Rot. Bonds4

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile

4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile (PubChem CID 162657893) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile
PubChem CID162657893
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile
SMILESCC(C)Oc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12
InChIInChI=1S/C23H23FN4O/c1-16(2)29-21-9-5-6-18-22(21)26-15-17(14-25)23(18)28-12-10-27(11-13-28)20-8-4-3-7-19(20)24/h3-9,15-16H,10-13H2,1-2H3
InChIKeyWEBXONZQIONYBK-UHFFFAOYSA-N
XLogP4.36
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile (CID 162657893) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile is CC(C)Oc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile?
The InChIKey is WEBXONZQIONYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16(2)29-21-9-5-6-18-22(21)26-15-17(14-25)23(18)28-12-10-27(11-13-28)20-8-4-3-7-19(20)24/h3-9,15-16H,10-13H2,1-2H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile?
4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile has a molecular weight of 390.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-propan-2-yloxyquinoline-3-carbonitrile is sourced from PubChem (CID 162657893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).