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

C18H28N4O2 — CID 134076214

IUPACN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2
InChIInChI=1S/C18H28N4O2/c1-20(2)11-12-22-16-7-6-15(13-14(16)5-8-17(22)23)19-18(24)21-9-3-4-10-21/h5,8,15H,3-4,6-7,9-13H2,1-2H3,(H,19,24)
InChIKeyAWCWPMFJQLUMFL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.07
Rot. Bonds4

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

N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide (PubChem CID 134076214) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide
PubChem CID134076214
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2
InChIInChI=1S/C18H28N4O2/c1-20(2)11-12-22-16-7-6-15(13-14(16)5-8-17(22)23)19-18(24)21-9-3-4-10-21/h5,8,15H,3-4,6-7,9-13H2,1-2H3,(H,19,24)
InChIKeyAWCWPMFJQLUMFL-UHFFFAOYSA-N
XLogP1.07
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide (CID 134076214) is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide is CN(C)CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide?
The InChIKey is AWCWPMFJQLUMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(2)11-12-22-16-7-6-15(13-14(16)5-8-17(22)23)19-18(24)21-9-3-4-10-21/h5,8,15H,3-4,6-7,9-13H2,1-2H3,(H,19,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide?
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134076214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).