N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine

C20H16N4OS — CID 127027210

IUPACN-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCS(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4OS/c1-26(25)16-8-6-15(7-9-16)22-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-21-13-11-14/h2-13H,1H3,(H,22,23,24)
InChIKeyLYDXUAZFPFHHFC-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.17
Rot. Bonds4

About N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 127027210) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID127027210
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCS(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4OS/c1-26(25)16-8-6-15(7-9-16)22-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-21-13-11-14/h2-13H,1H3,(H,22,23,24)
InChIKeyLYDXUAZFPFHHFC-UHFFFAOYSA-N
XLogP4.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 127027210) is N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine is CS(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LYDXUAZFPFHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-26(25)16-8-6-15(7-9-16)22-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-21-13-11-14/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 360.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 127027210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).