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

C18H14ClN5S — CID 10270356

IUPAC2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14ClN5S/c1-11-10-16(24-23-11)21-17-12-6-2-4-8-14(12)20-18(22-17)25-15-9-5-3-7-13(15)19/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyNQFJXYKOQSRMCX-UHFFFAOYSA-N
MW367.87 g/mol
LogP5.21
Rot. Bonds4

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

2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10270356) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10270356
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14ClN5S/c1-11-10-16(24-23-11)21-17-12-6-2-4-8-14(12)20-18(22-17)25-15-9-5-3-7-13(15)19/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyNQFJXYKOQSRMCX-UHFFFAOYSA-N
XLogP5.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.87
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10270356) is 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is NQFJXYKOQSRMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c1-11-10-16(24-23-11)21-17-12-6-2-4-8-14(12)20-18(22-17)25-15-9-5-3-7-13(15)19/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 367.87 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10270356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).