6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine

C23H23N5O2S — CID 10252312

IUPAC6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine
SMILESCCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C23H23N5O2S/c1-2-28(17-10-13-21-20(14-17)22(24)27-23(25)26-21)15-16-8-11-19(12-9-16)31(29,30)18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H4,24,25,26,27)
InChIKeyHSTQUJPVNIIZRC-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.65
Rot. Bonds6

About 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine

6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine (PubChem CID 10252312) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine
PubChem CID10252312
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine
SMILESCCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C23H23N5O2S/c1-2-28(17-10-13-21-20(14-17)22(24)27-23(25)26-21)15-16-8-11-19(12-9-16)31(29,30)18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H4,24,25,26,27)
InChIKeyHSTQUJPVNIIZRC-UHFFFAOYSA-N
XLogP3.65
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The IUPAC name of 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine (CID 10252312) is 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine is CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The InChIKey is HSTQUJPVNIIZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-2-28(17-10-13-21-20(14-17)22(24)27-23(25)26-21)15-16-8-11-19(12-9-16)31(29,30)18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H4,24,25,26,27).
What are the key properties of 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine?
6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine has a molecular weight of 433.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine is sourced from PubChem (CID 10252312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).