8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline

C28H31FN4O — CID 18414170

IUPAC8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(C3CCC(c4c[nH]c5cc(F)ccc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C28H31FN4O/c1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-16-21(29)6-9-24(25)26/h2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3
InChIKeyBWNJJUVKOCHDEN-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.71
Rot. Bonds4

About 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline

8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline (PubChem CID 18414170) has the molecular formula C28H31FN4O and a molecular weight of 458.58 g/mol. Its IUPAC name is 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline.

Molecular Properties

Compound Name8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
PubChem CID18414170
Molecular FormulaC28H31FN4O
Molecular Weight458.58 g/mol
Exact Mass458.25
IUPAC Name8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(C3CCC(c4c[nH]c5cc(F)ccc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C28H31FN4O/c1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-16-21(29)6-9-24(25)26/h2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3
InChIKeyBWNJJUVKOCHDEN-UHFFFAOYSA-N
XLogP5.71
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline with MolForge

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Related Compounds

Primaquine
CID 4908
Sitamaquine
CID 42548
Quinocide
CID 68928
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
(+)-Primaquine
CID 3044369
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
Pamaquine
CID 10290
(-)-Primaquine
CID 3044368
Ditercalinium Chloride
CID 71541
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The IUPAC name of 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline (CID 18414170) is 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline.
What is the SMILES notation for 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The canonical SMILES for 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline is COc1cc(N2CCN(C3CCC(c4c[nH]c5cc(F)ccc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The InChIKey is BWNJJUVKOCHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O/c1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-16-21(29)6-9-24(25)26/h2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3.
What are the key properties of 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline has a molecular weight of 458.58 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline is sourced from PubChem (CID 18414170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).