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

C19H19N3O3 — CID 54682070

IUPAC4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-11-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-12-13-7-5-6-10-20-13/h3-10,23H,2,11-12H2,1H3,(H,21,24)
InChIKeyDJJMEDMJLUDKOM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.44
Rot. Bonds5

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

4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 54682070) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
PubChem CID54682070
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-11-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-12-13-7-5-6-10-20-13/h3-10,23H,2,11-12H2,1H3,(H,21,24)
InChIKeyDJJMEDMJLUDKOM-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (CID 54682070) is 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is DJJMEDMJLUDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-11-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-12-13-7-5-6-10-20-13/h3-10,23H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.44, 5 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-propyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54682070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).