4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide

C15H19N3OS — CID 63963158

IUPAC4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NCCSC)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-3-16-13-10-14(15(19)17-8-9-20-2)18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUOFUSZVLFBSFIU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.76
Rot. Bonds6

About 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide

4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide (PubChem CID 63963158) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
PubChem CID63963158
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NCCSC)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-3-16-13-10-14(15(19)17-8-9-20-2)18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUOFUSZVLFBSFIU-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide (CID 63963158) is 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide is CCNc1cc(C(=O)NCCSC)nc2ccccc12.
What is the InChIKey of 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The InChIKey is UOFUSZVLFBSFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-13-10-14(15(19)17-8-9-20-2)18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63963158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).