N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

C18H15Cl2N3OS — CID 3913264

IUPACN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H15Cl2N3OS/c1-10-7-16(22-15-6-4-3-5-13(10)15)25-11(2)18(24)23-17-14(20)8-12(19)9-21-17/h3-9,11H,1-2H3,(H,21,23,24)
InChIKeyRTNAIWGSPRZEIT-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.36
Rot. Bonds4

About N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 3913264) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID3913264
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H15Cl2N3OS/c1-10-7-16(22-15-6-4-3-5-13(10)15)25-11(2)18(24)23-17-14(20)8-12(19)9-21-17/h3-9,11H,1-2H3,(H,21,23,24)
InChIKeyRTNAIWGSPRZEIT-UHFFFAOYSA-N
XLogP5.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (CID 3913264) is N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is RTNAIWGSPRZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-10-7-16(22-15-6-4-3-5-13(10)15)25-11(2)18(24)23-17-14(20)8-12(19)9-21-17/h3-9,11H,1-2H3,(H,21,23,24).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 392.31 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 3913264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).