N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C25H28N4O6S — CID 59626901

IUPACN-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1cnc2cccc(C(O)CN3CCC(NS(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H28N4O6S/c1-34-17-11-20-19(3-2-4-21(20)26-13-17)23(30)14-29-9-7-16(8-10-29)28-36(32,33)18-5-6-24-22(12-18)27-25(31)15-35-24/h2-6,11-13,16,23,28,30H,7-10,14-15H2,1H3,(H,27,31)
InChIKeyIWHROQPBOAPWNN-UHFFFAOYSA-N
MW512.59 g/mol
LogP2.05
Rot. Bonds7

About N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 59626901) has the molecular formula C25H28N4O6S and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID59626901
Molecular FormulaC25H28N4O6S
Molecular Weight512.59 g/mol
Exact Mass512.17
IUPAC NameN-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1cnc2cccc(C(O)CN3CCC(NS(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H28N4O6S/c1-34-17-11-20-19(3-2-4-21(20)26-13-17)23(30)14-29-9-7-16(8-10-29)28-36(32,33)18-5-6-24-22(12-18)27-25(31)15-35-24/h2-6,11-13,16,23,28,30H,7-10,14-15H2,1H3,(H,27,31)
InChIKeyIWHROQPBOAPWNN-UHFFFAOYSA-N
XLogP2.05
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide 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

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 59626858
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
ethane;7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 143437106
6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 69432638
6-[[[8-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989649
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
CID 69377865
6-[[[8-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989682
(E)-N-hydroxy-3-[2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]piperidin-1-yl]phenyl]prop-2-enamide
CID 122513871
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953
2-{3-(tert-Butyl-dimethyl-silanyloxymethyl)-4-[(2,3-dihydro-benzo-[1,4]dioxin-6-ylmethyl)-amino]-piperidin-1-yl}-1-(3-methoxy-quinolin-5-yl)-ethanol
CID 68782135
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethanol
CID 10184310

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 59626901) is N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is COc1cnc2cccc(C(O)CN3CCC(NS(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is IWHROQPBOAPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6S/c1-34-17-11-20-19(3-2-4-21(20)26-13-17)23(30)14-29-9-7-16(8-10-29)28-36(32,33)18-5-6-24-22(12-18)27-25(31)15-35-24/h2-6,11-13,16,23,28,30H,7-10,14-15H2,1H3,(H,27,31).
What are the key properties of N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 512.59 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 59626901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).