4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide

C21H25N5O3S — CID 24757955

IUPAC4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nc(N3CCN(C)CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H25N5O3S/c1-24-12-14-26(15-13-24)21-22-19-7-5-4-6-18(19)20(23-21)25(2)30(27,28)17-10-8-16(29-3)9-11-17/h4-11H,12-15H2,1-3H3
InChIKeyFEAYJRJHSWCZMC-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.22
Rot. Bonds5

About 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide

4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide (PubChem CID 24757955) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
PubChem CID24757955
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nc(N3CCN(C)CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H25N5O3S/c1-24-12-14-26(15-13-24)21-22-19-7-5-4-6-18(19)20(23-21)25(2)30(27,28)17-10-8-16(29-3)9-11-17/h4-11H,12-15H2,1-3H3
InChIKeyFEAYJRJHSWCZMC-UHFFFAOYSA-N
XLogP2.22
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995927
2-chloro-4-cyano-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
CID 24757954
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
(2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
CID 40852282
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
3,4-bis(chloromethyl)-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
CID 91394968
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide (CID 24757955) is 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2nc(N3CCN(C)CC3)nc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide?
The InChIKey is FEAYJRJHSWCZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-24-12-14-26(15-13-24)21-22-19-7-5-4-6-18(19)20(23-21)25(2)30(27,28)17-10-8-16(29-3)9-11-17/h4-11H,12-15H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide?
4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide is sourced from PubChem (CID 24757955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).