N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide

C32H30BrN5O2S — CID 90680173

IUPACN-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide
SMILESBr.O=S(=O)(CCCCNc1ccnc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C32H29N5O2S.BrH/c38-40(39,22-8-7-20-33-29-19-21-34-28-12-4-1-9-25(28)29)37-24-17-15-23(16-18-24)35-32-26-10-2-5-13-30(26)36-31-14-6-3-11-27(31)32;/h1-6,9-19,21,37H,7-8,20,22H2,(H,33,34)(H,35,36);1H
InChIKeyWUCHKPXIZIKPAD-UHFFFAOYSA-N
MW628.60 g/mol
LogP7.89
Rot. Bonds10

About N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide

N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide (PubChem CID 90680173) has the molecular formula C32H30BrN5O2S and a molecular weight of 628.60 g/mol. Its IUPAC name is N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide.

Molecular Properties

Compound NameN-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide
PubChem CID90680173
Molecular FormulaC32H30BrN5O2S
Molecular Weight628.60 g/mol
Exact Mass627.13
IUPAC NameN-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide
SMILESBr.O=S(=O)(CCCCNc1ccnc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C32H29N5O2S.BrH/c38-40(39,22-8-7-20-33-29-19-21-34-28-12-4-1-9-25(28)29)37-24-17-15-23(16-18-24)35-32-26-10-2-5-13-30(26)36-31-14-6-3-11-27(31)32;/h1-6,9-19,21,37H,7-8,20,22H2,(H,33,34)(H,35,36);1H
InChIKeyWUCHKPXIZIKPAD-UHFFFAOYSA-N
XLogP7.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.60
LogP ≤ 57.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide 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-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide?
The IUPAC name of N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide (CID 90680173) is N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide.
What is the SMILES notation for N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide?
The canonical SMILES for N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide is Br.O=S(=O)(CCCCNc1ccnc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide?
The InChIKey is WUCHKPXIZIKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O2S.BrH/c38-40(39,22-8-7-20-33-29-19-21-34-28-12-4-1-9-25(28)29)37-24-17-15-23(16-18-24)35-32-26-10-2-5-13-30(26)36-31-14-6-3-11-27(31)32;/h1-6,9-19,21,37H,7-8,20,22H2,(H,33,34)(H,35,36);1H.
What are the key properties of N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide?
N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide has a molecular weight of 628.60 g/mol, XLogP of 7.89, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-9-ylamino)phenyl]-4-(quinolin-4-ylamino)butane-1-sulfonamide;hydrobromide is sourced from PubChem (CID 90680173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).