N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C14H21N3O3 — CID 54682388

IUPACN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(19)11-12(18)9-5-3-4-6-10(9)16-14(11)20/h3-8H2,1-2H3,(H,15,19)(H2,16,18,20)
InChIKeyLGRGZXBEZJBXBB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54682388) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54682388
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(19)11-12(18)9-5-3-4-6-10(9)16-14(11)20/h3-8H2,1-2H3,(H,15,19)(H2,16,18,20)
InChIKeyLGRGZXBEZJBXBB-UHFFFAOYSA-N
XLogP0.25
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54682388) is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CN(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is LGRGZXBEZJBXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(19)11-12(18)9-5-3-4-6-10(9)16-14(11)20/h3-8H2,1-2H3,(H,15,19)(H2,16,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54682388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).