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

C34H38FN5O9 — CID 25028169

IUPAC6-[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
SMILESCOc1cc(N2CCN(C3CCN(c4c(OC5OC(C(=O)O)C(O)C(O)C5O)cc(F)c5cccnc45)CC3)CC2)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C34H38FN5O9/c1-47-20-15-18-4-5-25(41)37-26(18)23(16-20)39-13-11-38(12-14-39)19-6-9-40(10-7-19)28-24(17-22(35)21-3-2-8-36-27(21)28)48-34-31(44)29(42)30(43)32(49-34)33(45)46/h2-5,8,15-17,19,29-32,34,42-44H,6-7,9-14H2,1H3,(H,37,41)(H,45,46)
InChIKeyOJNDFNPLFUYUNQ-UHFFFAOYSA-N
MW679.70 g/mol
LogP1.29
Rot. Bonds7

About 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

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 (PubChem CID 25028169) has the molecular formula C34H38FN5O9 and a molecular weight of 679.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID25028169
Molecular FormulaC34H38FN5O9
Molecular Weight679.70 g/mol
Exact Mass679.27
IUPAC Name6-[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
SMILESCOc1cc(N2CCN(C3CCN(c4c(OC5OC(C(=O)O)C(O)C(O)C5O)cc(F)c5cccnc45)CC3)CC2)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C34H38FN5O9/c1-47-20-15-18-4-5-25(41)37-26(18)23(16-20)39-13-11-38(12-14-39)19-6-9-40(10-7-19)28-24(17-22(35)21-3-2-8-36-27(21)28)48-34-31(44)29(42)30(43)32(49-34)33(45)46/h2-5,8,15-17,19,29-32,34,42-44H,6-7,9-14H2,1H3,(H,37,41)(H,45,46)
InChIKeyOJNDFNPLFUYUNQ-UHFFFAOYSA-N
XLogP1.29
TPSA181.15 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.70
LogP ≤ 51.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 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 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

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-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
CID 25029539
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-5-methoxy-2-methylphenyl]piperazin-1-yl]piperidin-1-yl]-5-fluoroquinoline
CID 143686547
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-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl] hydrogen sulfate
CID 25028617
6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 171115063
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
CID 59827335
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
CID 163199437
CID 159696333
CID 159696333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCN(C3CCN(c4c(OC5OC(C(=O)O)C(O)C(O)C5O)cc(F)c5cccnc45)CC3)CC2)c2[nH]c(=O)ccc2c1.
What is the InChIKey of 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?
The InChIKey is OJNDFNPLFUYUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O9/c1-47-20-15-18-4-5-25(41)37-26(18)23(16-20)39-13-11-38(12-14-39)19-6-9-40(10-7-19)28-24(17-22(35)21-3-2-8-36-27(21)28)48-34-31(44)29(42)30(43)32(49-34)33(45)46/h2-5,8,15-17,19,29-32,34,42-44H,6-7,9-14H2,1H3,(H,37,41)(H,45,46).
What are the key properties of 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?
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 has a molecular weight of 679.70 g/mol, XLogP of 1.29, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25028169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).