2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride

C28H31ClFN5O — CID 141191292

IUPAC2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
SMILESCOc1ccc2cccc(N3CCN(C4CCN(c5cccc6ccc(F)nc56)CC4)CC3)c2n1.Cl
InChIInChI=1S/C28H30FN5O.ClH/c1-35-26-11-9-21-5-3-7-24(28(21)31-26)34-18-16-32(17-19-34)22-12-14-33(15-13-22)23-6-2-4-20-8-10-25(29)30-27(20)23;/h2-11,22H,12-19H2,1H3;1H
InChIKeySRSAOEMFBSHISV-UHFFFAOYSA-N
MW508.04 g/mol
LogP5.14
Rot. Bonds4

About 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride

2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride (PubChem CID 141191292) has the molecular formula C28H31ClFN5O and a molecular weight of 508.04 g/mol. Its IUPAC name is 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
PubChem CID141191292
Molecular FormulaC28H31ClFN5O
Molecular Weight508.04 g/mol
Exact Mass507.22
IUPAC Name2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
SMILESCOc1ccc2cccc(N3CCN(C4CCN(c5cccc6ccc(F)nc56)CC4)CC3)c2n1.Cl
InChIInChI=1S/C28H30FN5O.ClH/c1-35-26-11-9-21-5-3-7-24(28(21)31-26)34-18-16-32(17-19-34)22-12-14-33(15-13-22)23-6-2-4-20-8-10-25(29)30-27(20)23;/h2-11,22H,12-19H2,1H3;1H
InChIKeySRSAOEMFBSHISV-UHFFFAOYSA-N
XLogP5.14
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.04
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride with MolForge

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Related Compounds

2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
CID 87655074
8-[4-[1-(2-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-10-methoxy-3,4-dihydro-[1,4]dioxocino[2,3-b]quinoline-2,5-dione
CID 141191458
8-[4-(1,1-dihydroxythian-4-yl)piperazin-1-yl]-2-methylquinoline
CID 68873861
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
1-(2-methylquinolin-8-yl)piperidin-4-amine
CID 167019994
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
2-fluoro-8-methoxyquinoline
CID 54155138
1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553095
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 10181879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride?
The IUPAC name of 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride (CID 141191292) is 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride.
What is the SMILES notation for 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride?
The canonical SMILES for 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride is COc1ccc2cccc(N3CCN(C4CCN(c5cccc6ccc(F)nc56)CC4)CC3)c2n1.Cl.
What is the InChIKey of 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride?
The InChIKey is SRSAOEMFBSHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O.ClH/c1-35-26-11-9-21-5-3-7-24(28(21)31-26)34-18-16-32(17-19-34)22-12-14-33(15-13-22)23-6-2-4-20-8-10-25(29)30-27(20)23;/h2-11,22H,12-19H2,1H3;1H.
What are the key properties of 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride?
2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride has a molecular weight of 508.04 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride is sourced from PubChem (CID 141191292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).