N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide

C24H23N5O2S — CID 54379705

IUPACN-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide
SMILESNc1nc(NCCC#CCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C24H23N5O2S/c25-23-20-13-5-6-14-21(20)28-24(29-23)26-16-7-1-2-8-17-27-32(30,31)22-15-9-11-18-10-3-4-12-19(18)22/h3-6,9-15,27H,7-8,16-17H2,(H3,25,26,28,29)
InChIKeyUZBCFQXJIATIPJ-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.54
Rot. Bonds7

About N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide

N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide (PubChem CID 54379705) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide
PubChem CID54379705
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide
SMILESNc1nc(NCCC#CCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C24H23N5O2S/c25-23-20-13-5-6-14-21(20)28-24(29-23)26-16-7-1-2-8-17-27-32(30,31)22-15-9-11-18-10-3-4-12-19(18)22/h3-6,9-15,27H,7-8,16-17H2,(H3,25,26,28,29)
InChIKeyUZBCFQXJIATIPJ-UHFFFAOYSA-N
XLogP3.54
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-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-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide (CID 54379705) is N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide is Nc1nc(NCCC#CCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide?
The InChIKey is UZBCFQXJIATIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c25-23-20-13-5-6-14-21(20)28-24(29-23)26-16-7-1-2-8-17-27-32(30,31)22-15-9-11-18-10-3-4-12-19(18)22/h3-6,9-15,27H,7-8,16-17H2,(H3,25,26,28,29).
What are the key properties of N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide?
N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide has a molecular weight of 445.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 54379705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).