N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide

C27H26N4O5S — CID 90447739

IUPACN-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide
SMILESCOc1nc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H26N4O5S/c1-36-25-21(30-37(34,35)23-11-5-7-19-8-6-16-28-24(19)23)12-13-22(29-25)26(32)31-17-14-27(33,15-18-31)20-9-3-2-4-10-20/h2-13,16,30,33H,14-15,17-18H2,1H3
InChIKeyYXQPPECNDBSXHM-UHFFFAOYSA-N
MW518.60 g/mol
LogP3.56
Rot. Bonds6

About N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide

N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide (PubChem CID 90447739) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide
PubChem CID90447739
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC NameN-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide
SMILESCOc1nc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H26N4O5S/c1-36-25-21(30-37(34,35)23-11-5-7-19-8-6-16-28-24(19)23)12-13-22(29-25)26(32)31-17-14-27(33,15-18-31)20-9-3-2-4-10-20/h2-13,16,30,33H,14-15,17-18H2,1H3
InChIKeyYXQPPECNDBSXHM-UHFFFAOYSA-N
XLogP3.56
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?
The IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide (CID 90447739) is N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide is COc1nc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?
The InChIKey is YXQPPECNDBSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S/c1-36-25-21(30-37(34,35)23-11-5-7-19-8-6-16-28-24(19)23)12-13-22(29-25)26(32)31-17-14-27(33,15-18-31)20-9-3-2-4-10-20/h2-13,16,30,33H,14-15,17-18H2,1H3.
What are the key properties of N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?
N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide has a molecular weight of 518.60 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90447739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).