N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide

C19H22N4O5S — CID 143583079

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide
SMILESCN(C)CCOc1cccc(CNS(=O)(=O)c2c(O)c3cccnc3[nH]c2=O)c1
InChIInChI=1S/C19H22N4O5S/c1-23(2)9-10-28-14-6-3-5-13(11-14)12-21-29(26,27)17-16(24)15-7-4-8-20-18(15)22-19(17)25/h3-8,11,21H,9-10,12H2,1-2H3,(H2,20,22,24,25)
InChIKeySGEHDYVIWDNMQJ-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.05
Rot. Bonds8

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide (PubChem CID 143583079) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide
PubChem CID143583079
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide
SMILESCN(C)CCOc1cccc(CNS(=O)(=O)c2c(O)c3cccnc3[nH]c2=O)c1
InChIInChI=1S/C19H22N4O5S/c1-23(2)9-10-28-14-6-3-5-13(11-14)12-21-29(26,27)17-16(24)15-7-4-8-20-18(15)22-19(17)25/h3-8,11,21H,9-10,12H2,1-2H3,(H2,20,22,24,25)
InChIKeySGEHDYVIWDNMQJ-UHFFFAOYSA-N
XLogP1.05
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-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-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide (CID 143583079) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide is CN(C)CCOc1cccc(CNS(=O)(=O)c2c(O)c3cccnc3[nH]c2=O)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide?
The InChIKey is SGEHDYVIWDNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-23(2)9-10-28-14-6-3-5-13(11-14)12-21-29(26,27)17-16(24)15-7-4-8-20-18(15)22-19(17)25/h3-8,11,21H,9-10,12H2,1-2H3,(H2,20,22,24,25).
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide has a molecular weight of 418.48 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide is sourced from PubChem (CID 143583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).