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

C19H19N3O3 — CID 54676772

IUPAC1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-3-12-22-14-9-5-4-8-13(14)17(23)16(19(22)25)18(24)21-15-10-6-7-11-20-15/h4-11,23H,2-3,12H2,1H3,(H,20,21,24)
InChIKeyDQKNZHVSBUOJOU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.15
Rot. Bonds5

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

1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide (PubChem CID 54676772) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
PubChem CID54676772
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-3-12-22-14-9-5-4-8-13(14)17(23)16(19(22)25)18(24)21-15-10-6-7-11-20-15/h4-11,23H,2-3,12H2,1H3,(H,20,21,24)
InChIKeyDQKNZHVSBUOJOU-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide (CID 54676772) is 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The InChIKey is DQKNZHVSBUOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-3-12-22-14-9-5-4-8-13(14)17(23)16(19(22)25)18(24)21-15-10-6-7-11-20-15/h4-11,23H,2-3,12H2,1H3,(H,20,21,24).
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54676772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).