N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine

C23H21N3O2S — CID 133398069

IUPACN-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-29(27,28)16-15-17-11-13-19(14-12-17)24-23-20-9-5-6-10-21(20)25-22(26-23)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,26)
InChIKeyXCKIQOQEIJUCQU-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.63
Rot. Bonds6

About N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine

N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine (PubChem CID 133398069) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
PubChem CID133398069
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-29(27,28)16-15-17-11-13-19(14-12-17)24-23-20-9-5-6-10-21(20)25-22(26-23)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,26)
InChIKeyXCKIQOQEIJUCQU-UHFFFAOYSA-N
XLogP4.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butylphenyl)-N-(4-nitrophenyl)quinazolin-4-amine
CID 23818931
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-(4-butylphenyl)-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 46498613
N-[4-(2-methylsulfonylethyl)phenyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133398054
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine (CID 133398069) is N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine is CS(=O)(=O)CCc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine?
The InChIKey is XCKIQOQEIJUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-29(27,28)16-15-17-11-13-19(14-12-17)24-23-20-9-5-6-10-21(20)25-22(26-23)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine?
N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine has a molecular weight of 403.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 133398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).