4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide

C19H21N5O3S — CID 67101719

IUPAC4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cccc(CN4CCOCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-16(5-7-17)22-19-21-12-14-2-1-3-15(18(14)23-19)13-24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H2,20,25,26)(H,21,22,23)
InChIKeyJONRFWJAKOZNSQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.85
Rot. Bonds5

About 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide

4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67101719) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67101719
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cccc(CN4CCOCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-16(5-7-17)22-19-21-12-14-2-1-3-15(18(14)23-19)13-24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H2,20,25,26)(H,21,22,23)
InChIKeyJONRFWJAKOZNSQ-UHFFFAOYSA-N
XLogP1.85
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[8-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102137
4-[[8-[(2-pyrrolidin-1-ylethylamino)methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102122
4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102376
4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101985
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-[[8-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101621
4-[[8-[2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 123140037
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-sulfamoylanilino)quinazoline-8-carboxamide
CID 67102077
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102419
4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101863

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide (CID 67101719) is 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3cccc(CN4CCOCC4)c3n2)cc1.
What is the InChIKey of 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is JONRFWJAKOZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-16(5-7-17)22-19-21-12-14-2-1-3-15(18(14)23-19)13-24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H2,20,25,26)(H,21,22,23).
What are the key properties of 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67101719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).