2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H13Cl2N5S — CID 10111694

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-8-14(11)21-18(23-17)26-16-12(19)6-4-7-13(16)20/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyGYZHPLHOIMYBJI-UHFFFAOYSA-N
MW402.31 g/mol
LogP5.86
Rot. Bonds4

About 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10111694) has the molecular formula C18H13Cl2N5S and a molecular weight of 402.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10111694
Molecular FormulaC18H13Cl2N5S
Molecular Weight402.31 g/mol
Exact Mass401.03
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-8-14(11)21-18(23-17)26-16-12(19)6-4-7-13(16)20/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyGYZHPLHOIMYBJI-UHFFFAOYSA-N
XLogP5.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10111694) is 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is GYZHPLHOIMYBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-8-14(11)21-18(23-17)26-16-12(19)6-4-7-13(16)20/h2-9H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 402.31 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10111694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).