N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide

C19H21N3OS — CID 5186884

IUPACN-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccs3)ccc2n1
InChIInChI=1S/C19H21N3OS/c1-4-22(5-2)18-11-13(3)15-12-14(8-9-16(15)21-18)20-19(23)17-7-6-10-24-17/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyXHSAIGFLHNJOKP-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.70
Rot. Bonds5

About N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide

N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide (PubChem CID 5186884) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
PubChem CID5186884
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccs3)ccc2n1
InChIInChI=1S/C19H21N3OS/c1-4-22(5-2)18-11-13(3)15-12-14(8-9-16(15)21-18)20-19(23)17-7-6-10-24-17/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyXHSAIGFLHNJOKP-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide (CID 5186884) is N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3cccs3)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide?
The InChIKey is XHSAIGFLHNJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-22(5-2)18-11-13(3)15-12-14(8-9-16(15)21-18)20-19(23)17-7-6-10-24-17/h6-12H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide?
N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5186884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).