2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

C28H30FN5O — CID 141191461

IUPAC2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12
InChIInChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyDXBNCUUXJODAFV-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.72
Rot. Bonds4

About 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (PubChem CID 141191461) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
PubChem CID141191461
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12
InChIInChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyDXBNCUUXJODAFV-UHFFFAOYSA-N
XLogP4.72
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
CID 141191292
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
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-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
CID 25029539
[8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl] hydrogen sulfate
CID 25028617
8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-5-methoxy-2-methylphenyl]piperazin-1-yl]piperidin-1-yl]-5-fluoroquinoline
CID 143686547
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 10181879
8-[4-(1,1-dihydroxythian-4-yl)piperazin-1-yl]-2-methylquinoline
CID 68873861
bis(butanedioic acid);5-fluoro-4-methoxy-8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline
CID 86610297
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The IUPAC name of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (CID 141191461) is 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is COc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12.
What is the InChIKey of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The InChIKey is DXBNCUUXJODAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3.
What are the key properties of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline has a molecular weight of 471.58 g/mol, XLogP of 4.72, 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-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 141191461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).