8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline

C28H31FN4 — CID 10181879

IUPAC8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
SMILESCn1cc(C2CCC(N3CCN(c4cccc5cccnc45)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H31FN4/c1-31-19-25(24-18-22(29)9-12-26(24)31)20-7-10-23(11-8-20)32-14-16-33(17-15-32)27-6-2-4-21-5-3-13-30-28(21)27/h2-6,9,12-13,18-20,23H,7-8,10-11,14-17H2,1H3
InChIKeyXKYDYXOUGWZWSR-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.71
Rot. Bonds3

About 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline

8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline (PubChem CID 10181879) has the molecular formula C28H31FN4 and a molecular weight of 442.58 g/mol. Its IUPAC name is 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
PubChem CID10181879
Molecular FormulaC28H31FN4
Molecular Weight442.58 g/mol
Exact Mass442.25
IUPAC Name8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
SMILESCn1cc(C2CCC(N3CCN(c4cccc5cccnc45)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H31FN4/c1-31-19-25(24-18-22(29)9-12-26(24)31)20-7-10-23(11-8-20)32-14-16-33(17-15-32)27-6-2-4-21-5-3-13-30-28(21)27/h2-6,9,12-13,18-20,23H,7-8,10-11,14-17H2,1H3
InChIKeyXKYDYXOUGWZWSR-UHFFFAOYSA-N
XLogP5.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The IUPAC name of 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline (CID 10181879) is 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The canonical SMILES for 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline is Cn1cc(C2CCC(N3CCN(c4cccc5cccnc45)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The InChIKey is XKYDYXOUGWZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4/c1-31-19-25(24-18-22(29)9-12-26(24)31)20-7-10-23(11-8-20)32-14-16-33(17-15-32)27-6-2-4-21-5-3-13-30-28(21)27/h2-6,9,12-13,18-20,23H,7-8,10-11,14-17H2,1H3.
What are the key properties of 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline has a molecular weight of 442.58 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 10181879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).