N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide

C20H17N3O5S — CID 44564091

IUPACN-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide
SMILESCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(=O)oc3nc2c1
InChIInChI=1S/C20H17N3O5S/c1-27-14-7-8-15-17(11-14)22-20-16(9-10-18(24)28-20)19(15)21-12-3-5-13(6-4-12)23-29(2,25)26/h3-11,23H,1-2H3,(H,21,22)
InChIKeyNIVGZNAFLFOONA-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide

N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide (PubChem CID 44564091) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide
PubChem CID44564091
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide
SMILESCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(=O)oc3nc2c1
InChIInChI=1S/C20H17N3O5S/c1-27-14-7-8-15-17(11-14)22-20-16(9-10-18(24)28-20)19(15)21-12-3-5-13(6-4-12)23-29(2,25)26/h3-11,23H,1-2H3,(H,21,22)
InChIKeyNIVGZNAFLFOONA-UHFFFAOYSA-N
XLogP3.46
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide 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-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide (CID 44564091) is N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide is COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(=O)oc3nc2c1.
What is the InChIKey of N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide?
The InChIKey is NIVGZNAFLFOONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-27-14-7-8-15-17(11-14)22-20-16(9-10-18(24)28-20)19(15)21-12-3-5-13(6-4-12)23-29(2,25)26/h3-11,23H,1-2H3,(H,21,22).
What are the key properties of N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide?
N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 44564091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).