N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

C19H15BrN6O2S — CID 121416163

IUPACN-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4cncc(Br)c4)c3c2)c1
InChIInChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-4-13(7-21-10-16)12-2-3-18-17(5-12)19(24-11-23-18)25-15-6-14(20)8-22-9-15/h2-11,26H,1H3,(H,23,24,25)
InChIKeyGOZQBISADIAWMC-UHFFFAOYSA-N
MW471.34 g/mol
LogP3.96
Rot. Bonds5

About N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 121416163) has the molecular formula C19H15BrN6O2S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID121416163
Molecular FormulaC19H15BrN6O2S
Molecular Weight471.34 g/mol
Exact Mass470.02
IUPAC NameN-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4cncc(Br)c4)c3c2)c1
InChIInChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-4-13(7-21-10-16)12-2-3-18-17(5-12)19(24-11-23-18)25-15-6-14(20)8-22-9-15/h2-11,26H,1H3,(H,23,24,25)
InChIKeyGOZQBISADIAWMC-UHFFFAOYSA-N
XLogP3.96
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]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-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 121416163) is N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4cncc(Br)c4)c3c2)c1.
What is the InChIKey of N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is GOZQBISADIAWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-4-13(7-21-10-16)12-2-3-18-17(5-12)19(24-11-23-18)25-15-6-14(20)8-22-9-15/h2-11,26H,1H3,(H,23,24,25).
What are the key properties of N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 121416163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).