5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline

C27H29FN4 — CID 44568385

IUPAC5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1
InChIInChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2
InChIKeyADAZNIZLARWFMJ-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.70
Rot. Bonds3

About 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline

5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline (PubChem CID 44568385) has the molecular formula C27H29FN4 and a molecular weight of 428.56 g/mol. Its IUPAC name is 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
PubChem CID44568385
Molecular FormulaC27H29FN4
Molecular Weight428.56 g/mol
Exact Mass428.24
IUPAC Name5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1
InChIInChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2
InChIKeyADAZNIZLARWFMJ-UHFFFAOYSA-N
XLogP5.70
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Serdemetan
CID 11609586
Flortaucipir
CID 71059746
Flortaucipir F-18
CID 70957463
4-(piperazin-1-yl)-1H-indole
CID 594590
CY 208-243
CID 58144
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Gevotroline
CID 60547
Ochrolifuanine A
CID 215338
Ucl1848
CID 9811445
Syuiq-5
CID 10567578
Upcdc30245
CID 114286471
CID 9930376
CID 9930376

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The IUPAC name of 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline (CID 44568385) is 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The canonical SMILES for 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline is Fc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1.
What is the InChIKey of 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
The InChIKey is ADAZNIZLARWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2.
What are the key properties of 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline?
5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline has a molecular weight of 428.56 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 44568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).