N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H23N3O4 — CID 66495547

IUPACN-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C17H23N3O4/c21-15-4-1-3-14-12(15)11-13(17(23)19-14)16(22)18-5-2-6-20-7-9-24-10-8-20/h11H,1-10H2,(H,18,22)(H,19,23)
InChIKeyRYEKBIGONAALFL-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.35
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495547) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495547
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C17H23N3O4/c21-15-4-1-3-14-12(15)11-13(17(23)19-14)16(22)18-5-2-6-20-7-9-24-10-8-20/h11H,1-10H2,(H,18,22)(H,19,23)
InChIKeyRYEKBIGONAALFL-UHFFFAOYSA-N
XLogP0.35
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-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

Related Compounds

7-methyl-N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495563
2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39888703
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51054917
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51078200
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786227
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51076592

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495547) is N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)cc21.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is RYEKBIGONAALFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15-4-1-3-14-12(15)11-13(17(23)19-14)16(22)18-5-2-6-20-7-9-24-10-8-20/h11H,1-10H2,(H,18,22)(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).