N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C26H24N4O3S — CID 57382874

IUPACN-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCN(c1ccccc1)C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1
InChIInChI=1S/C26H24N4O3S/c1-29(22-9-3-2-4-10-22)23-17-30(18-23)26(31)20-12-14-21(15-13-20)28-34(32,33)24-11-5-7-19-8-6-16-27-25(19)24/h2-16,23,28H,17-18H2,1H3
InChIKeyJWTRJMNXTUSTBI-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 57382874) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID57382874
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCN(c1ccccc1)C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1
InChIInChI=1S/C26H24N4O3S/c1-29(22-9-3-2-4-10-22)23-17-30(18-23)26(31)20-12-14-21(15-13-20)28-34(32,33)24-11-5-7-19-8-6-16-27-25(19)24/h2-16,23,28H,17-18H2,1H3
InChIKeyJWTRJMNXTUSTBI-UHFFFAOYSA-N
XLogP4.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]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-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 57382874) is N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CN(c1ccccc1)C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1.
What is the InChIKey of N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is JWTRJMNXTUSTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-29(22-9-3-2-4-10-22)23-17-30(18-23)26(31)20-12-14-21(15-13-20)28-34(32,33)24-11-5-7-19-8-6-16-27-25(19)24/h2-16,23,28H,17-18H2,1H3.
What are the key properties of N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 472.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57382874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).