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

C20H23N5O3S — CID 21004190

IUPAC4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H23N5O3S/c21-29(26,27)16-7-5-15(6-8-16)13-22-20-17-3-1-2-4-18(17)23-19(24-20)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H2,21,26,27)(H,22,23,24)
InChIKeyHFSNKDQISHLEJV-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.72
Rot. Bonds6

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

4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide (PubChem CID 21004190) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
PubChem CID21004190
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H23N5O3S/c21-29(26,27)16-7-5-15(6-8-16)13-22-20-17-3-1-2-4-18(17)23-19(24-20)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H2,21,26,27)(H,22,23,24)
InChIKeyHFSNKDQISHLEJV-UHFFFAOYSA-N
XLogP1.72
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004285
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
N-(1,3-benzodioxol-5-ylmethyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004066
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
CID 21004205
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
5,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60502717
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide (CID 21004190) is 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(CN3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide?
The InChIKey is HFSNKDQISHLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c21-29(26,27)16-7-5-15(6-8-16)13-22-20-17-3-1-2-4-18(17)23-19(24-20)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H2,21,26,27)(H,22,23,24).
What are the key properties of 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide?
4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 21004190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).