4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide

C20H21N3O3 — CID 54682093

IUPAC4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-2-3-6-12-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)22-14-8-7-11-21-13-14/h4-5,7-11,13,24H,2-3,6,12H2,1H3,(H,22,25)
InChIKeyBBUJMCUNWPBHIU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.54
Rot. Bonds6

About 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide

4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 54682093) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
PubChem CID54682093
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-2-3-6-12-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)22-14-8-7-11-21-13-14/h4-5,7-11,13,24H,2-3,6,12H2,1H3,(H,22,25)
InChIKeyBBUJMCUNWPBHIU-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
2-butyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984445
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide (CID 54682093) is 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is BBUJMCUNWPBHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-3-6-12-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)22-14-8-7-11-21-13-14/h4-5,7-11,13,24H,2-3,6,12H2,1H3,(H,22,25).
What are the key properties of 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide?
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 54682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).