4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide

C25H28ClN3O4 — CID 44535662

IUPAC4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(OC)c4)CC3)c2c1
InChIInChI=1S/C25H28ClN3O4/c1-32-18-4-6-22-20(14-18)19(7-10-27-22)23(30)15-29-11-8-17(9-12-29)28-25(31)16-3-5-21(26)24(13-16)33-2/h3-7,10,13-14,17,23,30H,8-9,11-12,15H2,1-2H3,(H,28,31)/t23-/m0/s1
InChIKeyJBZSXANHHGGDQQ-QHCPKHFHSA-N
MW469.97 g/mol
LogP3.83
Rot. Bonds7

About 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide

4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 44535662) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID44535662
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC Name4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(OC)c4)CC3)c2c1
InChIInChI=1S/C25H28ClN3O4/c1-32-18-4-6-22-20(14-18)19(7-10-27-22)23(30)15-29-11-8-17(9-12-29)28-25(31)16-3-5-21(26)24(13-16)33-2/h3-7,10,13-14,17,23,30H,8-9,11-12,15H2,1-2H3,(H,28,31)/t23-/m0/s1
InChIKeyJBZSXANHHGGDQQ-QHCPKHFHSA-N
XLogP3.83
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide (CID 44535662) is 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(OC)c4)CC3)c2c1.
What is the InChIKey of 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is JBZSXANHHGGDQQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-32-18-4-6-22-20(14-18)19(7-10-27-22)23(30)15-29-11-8-17(9-12-29)28-25(31)16-3-5-21(26)24(13-16)33-2/h3-7,10,13-14,17,23,30H,8-9,11-12,15H2,1-2H3,(H,28,31)/t23-/m0/s1.
What are the key properties of 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide?
4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 469.97 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 44535662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).