4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

C17H15N3O3 — CID 54686951

IUPAC4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)nc1
InChIInChI=1S/C17H15N3O3/c1-10-7-8-13(18-9-10)19-16(22)14-15(21)11-5-3-4-6-12(11)20(2)17(14)23/h3-9,21H,1-2H3,(H,18,19,22)
InChIKeyLQYJKVQFYZSSPM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.20
Rot. Bonds2

About 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54686951) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
PubChem CID54686951
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)nc1
InChIInChI=1S/C17H15N3O3/c1-10-7-8-13(18-9-10)19-16(22)14-15(21)11-5-3-4-6-12(11)20(2)17(14)23/h3-9,21H,1-2H3,(H,18,19,22)
InChIKeyLQYJKVQFYZSSPM-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (CID 54686951) is 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is Cc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)nc1.
What is the InChIKey of 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is LQYJKVQFYZSSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-7-8-13(18-9-10)19-16(22)14-15(21)11-5-3-4-6-12(11)20(2)17(14)23/h3-9,21H,1-2H3,(H,18,19,22).
What are the key properties of 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-(5-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54686951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).