2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine

C21H24N4O4S — CID 171356984

IUPAC2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCS(=O)(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-28-17-8-6-16(7-9-17)20-23-19-5-3-2-4-18(19)21(24-20)22-10-15-30(26,27)25-11-13-29-14-12-25/h2-9H,10-15H2,1H3,(H,22,23,24)
InChIKeyUUDVNCNEJPXBME-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.38
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine (PubChem CID 171356984) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
PubChem CID171356984
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCS(=O)(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-28-17-8-6-16(7-9-17)20-23-19-5-3-2-4-18(19)21(24-20)22-10-15-30(26,27)25-11-13-29-14-12-25/h2-9H,10-15H2,1H3,(H,22,23,24)
InChIKeyUUDVNCNEJPXBME-UHFFFAOYSA-N
XLogP2.38
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
CID 51943069
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-(2-morpholin-4-ylsulfonylethyl)-2-propylquinolin-4-amine
CID 133405257
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 36834207
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine (CID 171356984) is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine is COc1ccc(-c2nc(NCCS(=O)(=O)N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine?
The InChIKey is UUDVNCNEJPXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-28-17-8-6-16(7-9-17)20-23-19-5-3-2-4-18(19)21(24-20)22-10-15-30(26,27)25-11-13-29-14-12-25/h2-9H,10-15H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine?
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine has a molecular weight of 428.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine is sourced from PubChem (CID 171356984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).