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

C32H32FN5O5 — CID 141191458

IUPAC8-[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
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2nc3c(cc2c1)OC(=O)CCC(=O)O3
InChIInChI=1S/C32H32FN5O5/c1-41-23-17-21-18-26-32(43-29(40)8-7-28(39)42-26)35-31(21)25(19-23)38-15-13-36(14-16-38)22-9-11-37(12-10-22)24-4-2-3-20-5-6-27(33)34-30(20)24/h2-6,17-19,22H,7-16H2,1H3
InChIKeyFXGKIXBLKMMEMH-UHFFFAOYSA-N
MW585.64 g/mol
LogP4.33
Rot. Bonds4

About 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

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 (PubChem CID 141191458) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID141191458
Molecular FormulaC32H32FN5O5
Molecular Weight585.64 g/mol
Exact Mass585.24
IUPAC Name8-[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
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2nc3c(cc2c1)OC(=O)CCC(=O)O3
InChIInChI=1S/C32H32FN5O5/c1-41-23-17-21-18-26-32(43-29(40)8-7-28(39)42-26)35-31(21)25(19-23)38-15-13-36(14-16-38)22-9-11-37(12-10-22)24-4-2-3-20-5-6-27(33)34-30(20)24/h2-6,17-19,22H,7-16H2,1H3
InChIKeyFXGKIXBLKMMEMH-UHFFFAOYSA-N
XLogP4.33
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
CID 141191292
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
CID 59827335
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-(1,1-dihydroxythian-4-yl)piperazin-1-yl]-2-methylquinoline
CID 68873861
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-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
CID 87655074
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-5-methoxy-2-methylphenyl]piperazin-1-yl]piperidin-1-yl]-5-fluoroquinoline
CID 143686547

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2nc3c(cc2c1)OC(=O)CCC(=O)O3.
What is the InChIKey of 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?
The InChIKey is FXGKIXBLKMMEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-41-23-17-21-18-26-32(43-29(40)8-7-28(39)42-26)35-31(21)25(19-23)38-15-13-36(14-16-38)22-9-11-37(12-10-22)24-4-2-3-20-5-6-27(33)34-30(20)24/h2-6,17-19,22H,7-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 585.64 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).