7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine

C16H12Cl2N2S — CID 15006897

IUPAC7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
SMILESNc1cnc2cc(Cl)ccc2c1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-11-3-1-10(2-4-11)9-21-16-13-6-5-12(18)7-15(13)20-8-14(16)19/h1-8H,9,19H2
InChIKeyPNGAOHQDKGDXTQ-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.42
Rot. Bonds3

About 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine

7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine (PubChem CID 15006897) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
PubChem CID15006897
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
SMILESNc1cnc2cc(Cl)ccc2c1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-11-3-1-10(2-4-11)9-21-16-13-6-5-12(18)7-15(13)20-8-14(16)19/h1-8H,9,19H2
InChIKeyPNGAOHQDKGDXTQ-UHFFFAOYSA-N
XLogP5.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)methylsulfanyl]quinazolin-7-amine
CID 114790237
2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044368
4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
CID 103963903
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
4-[(4-chlorophenyl)methylsulfanyl]-3-(4-chlorophenyl)sulfonyl-6-methoxyquinoline
CID 22425090
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
7-chlorocinnolin-4-amine
CID 10511562
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
CID 962610
4-chloro-2-[(4-ethoxyphenyl)methylsulfanyl]aniline
CID 79528049
4-[(4-chlorophenyl)methylsulfanyl]pyridine-2-carbothioamide
CID 3003010

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine?
The IUPAC name of 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine (CID 15006897) is 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine.
What is the SMILES notation for 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine?
The canonical SMILES for 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine is Nc1cnc2cc(Cl)ccc2c1SCc1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine?
The InChIKey is PNGAOHQDKGDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c17-11-3-1-10(2-4-11)9-21-16-13-6-5-12(18)7-15(13)20-8-14(16)19/h1-8H,9,19H2.
What are the key properties of 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine?
7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine has a molecular weight of 335.26 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine is sourced from PubChem (CID 15006897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).