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

C20H16N4S — CID 90361140

IUPACN-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCSc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4S/c1-25-16-8-6-15(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)
InChIKeyHRQMLJLMKYCWBY-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.16
Rot. Bonds4

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

N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 90361140) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID90361140
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC NameN-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCSc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4S/c1-25-16-8-6-15(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)
InChIKeyHRQMLJLMKYCWBY-UHFFFAOYSA-N
XLogP5.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 90361140) is N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine is CSc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is HRQMLJLMKYCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-25-16-8-6-15(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-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 344.44 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 90361140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).