4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

C20H21N3O3 — CID 54695771

IUPAC4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-13(2)12-23-16-9-4-3-8-15(16)18(24)17(20(23)26)19(25)22-11-14-7-5-6-10-21-14/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyPVXZFYTYJYJTMD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.69
Rot. Bonds5

About 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 54695771) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
PubChem CID54695771
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-13(2)12-23-16-9-4-3-8-15(16)18(24)17(20(23)26)19(25)22-11-14-7-5-6-10-21-14/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyPVXZFYTYJYJTMD-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
CID 56606321
1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 162650003
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 166859992
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (CID 54695771) is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is PVXZFYTYJYJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)12-23-16-9-4-3-8-15(16)18(24)17(20(23)26)19(25)22-11-14-7-5-6-10-21-14/h3-10,13,24H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).