N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide

C23H22N4O3S — CID 3232763

IUPACN-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C23H22N4O3S/c1-30-22-9-4-3-6-18(22)14-24-23-20-13-17(10-11-21(20)25-15-26-23)16-7-5-8-19(12-16)27-31(2,28)29/h3-13,15,27H,14H2,1-2H3,(H,24,25,26)
InChIKeyAYQPDDHPUFPFIA-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.29
Rot. Bonds7

About N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3232763) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3232763
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C23H22N4O3S/c1-30-22-9-4-3-6-18(22)14-24-23-20-13-17(10-11-21(20)25-15-26-23)16-7-5-8-19(12-16)27-31(2,28)29/h3-13,15,27H,14H2,1-2H3,(H,24,25,26)
InChIKeyAYQPDDHPUFPFIA-UHFFFAOYSA-N
XLogP4.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide (CID 3232763) is N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide is COc1ccccc1CNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12.
What is the InChIKey of N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is AYQPDDHPUFPFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-30-22-9-4-3-6-18(22)14-24-23-20-13-17(10-11-21(20)25-15-26-23)16-7-5-8-19(12-16)27-31(2,28)29/h3-13,15,27H,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3232763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).