N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

C21H31N3O3 — CID 54702818

IUPACN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2ccccc21
InChIInChI=1S/C21H31N3O3/c1-4-7-10-14-24-17-12-9-8-11-16(17)19(25)18(21(24)27)20(26)22-13-15-23(5-2)6-3/h8-9,11-12,25H,4-7,10,13-15H2,1-3H3,(H,22,26)
InChIKeyLDDVPGLHFDWTBF-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.97
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54702818) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54702818
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2ccccc21
InChIInChI=1S/C21H31N3O3/c1-4-7-10-14-24-17-12-9-8-11-16(17)19(25)18(21(24)27)20(26)22-13-15-23(5-2)6-3/h8-9,11-12,25H,4-7,10,13-15H2,1-3H3,(H,22,26)
InChIKeyLDDVPGLHFDWTBF-UHFFFAOYSA-N
XLogP2.97
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-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

N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride
CID 126479642
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54702818) is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is LDDVPGLHFDWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-7-10-14-24-17-12-9-8-11-16(17)19(25)18(21(24)27)20(26)22-13-15-23(5-2)6-3/h8-9,11-12,25H,4-7,10,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54702818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).