N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide

C24H24N4O4S — CID 3233316

IUPACN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C24H24N4O4S/c1-31-19-12-11-17(22(14-19)32-2)15-25-24-20-9-4-5-10-21(20)26-23(27-24)16-7-6-8-18(13-16)28-33(3,29)30/h4-14,28H,15H2,1-3H3,(H,25,26,27)
InChIKeyKHKKOCRHGIRSQS-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.30
Rot. Bonds8

About N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide

N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide (PubChem CID 3233316) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide
PubChem CID3233316
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C24H24N4O4S/c1-31-19-12-11-17(22(14-19)32-2)15-25-24-20-9-4-5-10-21(20)26-23(27-24)16-7-6-8-18(13-16)28-33(3,29)30/h4-14,28H,15H2,1-3H3,(H,25,26,27)
InChIKeyKHKKOCRHGIRSQS-UHFFFAOYSA-N
XLogP4.30
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]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-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide (CID 3233316) is N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide is COc1ccc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide?
The InChIKey is KHKKOCRHGIRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-31-19-12-11-17(22(14-19)32-2)15-25-24-20-9-4-5-10-21(20)26-23(27-24)16-7-6-8-18(13-16)28-33(3,29)30/h4-14,28H,15H2,1-3H3,(H,25,26,27).
What are the key properties of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).