1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide

C24H23FN4O2 — CID 91952242

IUPAC1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide
SMILESCN1Cc2ccc(NC(=O)C3CCCN(c4ccnc5ccc(F)cc45)C3)cc2C1=O
InChIInChI=1S/C24H23FN4O2/c1-28-13-15-4-6-18(12-19(15)24(28)31)27-23(30)16-3-2-10-29(14-16)22-8-9-26-21-7-5-17(25)11-20(21)22/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,27,30)
InChIKeyVHNOGMQFSYQKJL-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.81
Rot. Bonds3

About 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide

1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide (PubChem CID 91952242) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide
PubChem CID91952242
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide
SMILESCN1Cc2ccc(NC(=O)C3CCCN(c4ccnc5ccc(F)cc45)C3)cc2C1=O
InChIInChI=1S/C24H23FN4O2/c1-28-13-15-4-6-18(12-19(15)24(28)31)27-23(30)16-3-2-10-29(14-16)22-8-9-26-21-7-5-17(25)11-20(21)22/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,27,30)
InChIKeyVHNOGMQFSYQKJL-UHFFFAOYSA-N
XLogP3.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
CID 155419803
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide (CID 91952242) is 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide is CN1Cc2ccc(NC(=O)C3CCCN(c4ccnc5ccc(F)cc45)C3)cc2C1=O.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide?
The InChIKey is VHNOGMQFSYQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-28-13-15-4-6-18(12-19(15)24(28)31)27-23(30)16-3-2-10-29(14-16)22-8-9-26-21-7-5-17(25)11-20(21)22/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,27,30).
What are the key properties of 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide?
1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91952242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).