N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide

C19H21N3OS — CID 3206671

IUPACN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1cc2cc(C)c(NCCNC(=O)c3cccs3)nc2cc1C
InChIInChI=1S/C19H21N3OS/c1-12-9-15-10-14(3)18(22-16(15)11-13(12)2)20-6-7-21-19(23)17-5-4-8-24-17/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMBMNYLVUCQXHEM-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.06
Rot. Bonds5

About N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide

N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 3206671) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide
PubChem CID3206671
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1cc2cc(C)c(NCCNC(=O)c3cccs3)nc2cc1C
InChIInChI=1S/C19H21N3OS/c1-12-9-15-10-14(3)18(22-16(15)11-13(12)2)20-6-7-21-19(23)17-5-4-8-24-17/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMBMNYLVUCQXHEM-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.06
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 N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide (CID 3206671) is N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide is Cc1cc2cc(C)c(NCCNC(=O)c3cccs3)nc2cc1C.
What is the InChIKey of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is MBMNYLVUCQXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-9-15-10-14(3)18(22-16(15)11-13(12)2)20-6-7-21-19(23)17-5-4-8-24-17/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3206671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).