6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide

C24H26ClN3O2 — CID 56551657

IUPAC6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-16-22(13-19-12-20(25)6-7-23(19)27-16)24(30)26-14-17-2-4-18(5-3-17)15-28-10-8-21(29)9-11-28/h2-7,12-13,21,29H,8-11,14-15H2,1H3,(H,26,30)
InChIKeyFLAPMMDYBHLTST-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.08
Rot. Bonds5

About 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide (PubChem CID 56551657) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
PubChem CID56551657
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-16-22(13-19-12-20(25)6-7-23(19)27-16)24(30)26-14-17-2-4-18(5-3-17)15-28-10-8-21(29)9-11-28/h2-7,12-13,21,29H,8-11,14-15H2,1H3,(H,26,30)
InChIKeyFLAPMMDYBHLTST-UHFFFAOYSA-N
XLogP4.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
CID 56552188
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
6-chloro-2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinoline-3-carboxamide
CID 46975953
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 56552234
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
6-chloro-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 30187151
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56552121
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
6-chloro-2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 55522789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide (CID 56551657) is 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide?
The InChIKey is FLAPMMDYBHLTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-22(13-19-12-20(25)6-7-23(19)27-16)24(30)26-14-17-2-4-18(5-3-17)15-28-10-8-21(29)9-11-28/h2-7,12-13,21,29H,8-11,14-15H2,1H3,(H,26,30).
What are the key properties of 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 56551657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).