[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate

C38H37FN4O4 — CID 143148994

IUPAC[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCN(C(=O)Oc2c(C)c(C(=O)NCc3ccc(F)cc3)c(OC(c3ccccc3)c3ccccc3)c3ncccc23)CC1
InChIInChI=1S/C38H37FN4O4/c1-25-32(37(44)42-24-26-15-17-29(39)18-16-26)36(46-35(27-10-5-3-6-11-27)28-12-7-4-8-13-28)33-31(14-9-21-41-33)34(25)47-38(45)43-22-19-30(40-2)20-23-43/h3-18,21,30,35,40H,19-20,22-24H2,1-2H3,(H,42,44)
InChIKeyQHGVUOOSTXZTBG-UHFFFAOYSA-N
MW632.74 g/mol
LogP6.96
Rot. Bonds9

About [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate

[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate (PubChem CID 143148994) has the molecular formula C38H37FN4O4 and a molecular weight of 632.74 g/mol. Its IUPAC name is [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate
PubChem CID143148994
Molecular FormulaC38H37FN4O4
Molecular Weight632.74 g/mol
Exact Mass632.28
IUPAC Name[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCN(C(=O)Oc2c(C)c(C(=O)NCc3ccc(F)cc3)c(OC(c3ccccc3)c3ccccc3)c3ncccc23)CC1
InChIInChI=1S/C38H37FN4O4/c1-25-32(37(44)42-24-26-15-17-29(39)18-16-26)36(46-35(27-10-5-3-6-11-27)28-12-7-4-8-13-28)33-31(14-9-21-41-33)34(25)47-38(45)43-22-19-30(40-2)20-23-43/h3-18,21,30,35,40H,19-20,22-24H2,1-2H3,(H,42,44)
InChIKeyQHGVUOOSTXZTBG-UHFFFAOYSA-N
XLogP6.96
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.74
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate 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

ethyl 3-[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl]benzoate
CID 142885977
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate;ethane
CID 142886119
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl] 4-(2-dimethoxyphosphorylethyl)piperazine-1-carboxylate
CID 90871427
8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid
CID 150124520
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(2-dimethoxyphosphorylethyl)piperazine-1-carboxylate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(2-dimethoxyphosphorylethyl)piperazine-1-carboxylate
CID 160786243
tert-butyl 2-[[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]oxycarbonylamino]acetate
CID 91322340
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-formamidoethyl)carbamate
CID 143148988
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 58652689
ethyl (2S)-2-[[2-[[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carbonyl]amino]ethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 58652691
2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 36906839
methyl 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate;methyl 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
CID 159999123

Frequently Asked Questions

What is the IUPAC name of [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate (CID 143148994) is [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate is CNC1CCN(C(=O)Oc2c(C)c(C(=O)NCc3ccc(F)cc3)c(OC(c3ccccc3)c3ccccc3)c3ncccc23)CC1.
What is the InChIKey of [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate?
The InChIKey is QHGVUOOSTXZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN4O4/c1-25-32(37(44)42-24-26-15-17-29(39)18-16-26)36(46-35(27-10-5-3-6-11-27)28-12-7-4-8-13-28)33-31(14-9-21-41-33)34(25)47-38(45)43-22-19-30(40-2)20-23-43/h3-18,21,30,35,40H,19-20,22-24H2,1-2H3,(H,42,44).
What are the key properties of [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate?
[8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate has a molecular weight of 632.74 g/mol, XLogP of 6.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzhydryloxy-7-[(4-fluorophenyl)methylcarbamoyl]-6-methylquinolin-5-yl] 4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 143148994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).