N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

C18H23N3O2S — CID 118744580

IUPACN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2
InChIInChI=1S/C18H23N3O2S/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23)
InChIKeyMMGBCCHEUVZPLZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.76
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (PubChem CID 118744580) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
PubChem CID118744580
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2
InChIInChI=1S/C18H23N3O2S/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23)
InChIKeyMMGBCCHEUVZPLZ-UHFFFAOYSA-N
XLogP1.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (CID 118744580) is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is CN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The InChIKey is MMGBCCHEUVZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 118744580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).