7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine

C15H14N4O2S — CID 56669625

IUPAC7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1
InChIInChI=1S/C15H14N4O2S/c1-22(20,21)11-5-2-9(3-6-11)10-4-7-12-13(8-10)18-15(17)19-14(12)16/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyNNGNWTVCPVJZTD-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.86
Rot. Bonds2

About 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine

7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine (PubChem CID 56669625) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
PubChem CID56669625
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1
InChIInChI=1S/C15H14N4O2S/c1-22(20,21)11-5-2-9(3-6-11)10-4-7-12-13(8-10)18-15(17)19-14(12)16/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyNNGNWTVCPVJZTD-UHFFFAOYSA-N
XLogP1.86
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 98652
CID 98652
CID 3537
CID 3537
CID 446244
CID 446244
CID 446245
CID 446245
CID 11538533
CID 11538533
CID 11538534
CID 11538534
CID 11690097
CID 11690097
CID 44271559
CID 44271559
CID 56669623
CID 56669623
CID 56669624
CID 56669624
CID 1478074
CID 1478074
CID 56666218
CID 56666218

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine (CID 56669625) is 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine is CS(=O)(=O)c1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1.
What is the InChIKey of 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The InChIKey is NNGNWTVCPVJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-22(20,21)11-5-2-9(3-6-11)10-4-7-12-13(8-10)18-15(17)19-14(12)16/h2-8H,1H3,(H4,16,17,18,19).
What are the key properties of 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine has a molecular weight of 314.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56669625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).