N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine

C17H17N3O2S — CID 119045563

IUPACN-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
SMILESCCc1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1
InChIInChI=1S/C17H17N3O2S/c1-3-12-4-6-13(7-5-12)20-17-15-10-14(23(2,21)22)8-9-16(15)18-11-19-17/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeySIDQQXCUWAQEPU-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.34
Rot. Bonds4

About N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine

N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine (PubChem CID 119045563) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
PubChem CID119045563
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
SMILESCCc1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1
InChIInChI=1S/C17H17N3O2S/c1-3-12-4-6-13(7-5-12)20-17-15-10-14(23(2,21)22)8-9-16(15)18-11-19-17/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeySIDQQXCUWAQEPU-UHFFFAOYSA-N
XLogP3.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
N-(4-ethylphenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
CID 11460447
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
CID 124851919
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine (CID 119045563) is N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine is CCc1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine?
The InChIKey is SIDQQXCUWAQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-12-4-6-13(7-5-12)20-17-15-10-14(23(2,21)22)8-9-16(15)18-11-19-17/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine?
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine is sourced from PubChem (CID 119045563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).