8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one

C28H30FN5O2 — CID 25029539

IUPAC8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
SMILESCOc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2[nH]ccc(=O)c2c1
InChIInChI=1S/C28H30FN5O2/c1-36-20-17-22-26(35)6-10-31-28(22)25(18-20)34-15-13-32(14-16-34)19-7-11-33(12-8-19)24-5-4-23(29)21-3-2-9-30-27(21)24/h2-6,9-10,17-19H,7-8,11-16H2,1H3,(H,31,35)
InChIKeyVSGOEQPQDSSRPM-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.01
Rot. Bonds4

About 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one

8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one (PubChem CID 25029539) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
PubChem CID25029539
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
SMILESCOc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2[nH]ccc(=O)c2c1
InChIInChI=1S/C28H30FN5O2/c1-36-20-17-22-26(35)6-10-31-28(22)25(18-20)34-15-13-32(14-16-34)19-7-11-33(12-8-19)24-5-4-23(29)21-3-2-9-30-27(21)24/h2-6,9-10,17-19H,7-8,11-16H2,1H3,(H,31,35)
InChIKeyVSGOEQPQDSSRPM-UHFFFAOYSA-N
XLogP4.01
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-5-methoxy-2-methylphenyl]piperazin-1-yl]piperidin-1-yl]-5-fluoroquinoline
CID 143686547
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
[8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl] hydrogen sulfate
CID 25028617
6-[5-fluoro-8-[4-[4-(6-methoxy-2-oxo-1H-quinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinolin-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 25028169
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
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
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
CID 59827335
8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 163826186
3,4,5-trihydroxy-6-[8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl]oxyoxane-2-carboxylic acid
CID 59827340
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-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline
CID 167992909

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one (CID 25029539) is 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one is COc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2[nH]ccc(=O)c2c1.
What is the InChIKey of 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one?
The InChIKey is VSGOEQPQDSSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-36-20-17-22-26(35)6-10-31-28(22)25(18-20)34-15-13-32(14-16-34)19-7-11-33(12-8-19)24-5-4-23(29)21-3-2-9-30-27(21)24/h2-6,9-10,17-19H,7-8,11-16H2,1H3,(H,31,35).
What are the key properties of 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one?
8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one has a molecular weight of 487.58 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 25029539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).