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

C21H23N3O3 — CID 54678158

IUPAC4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
InChIKeyATDNAOUVAWAMRK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds7

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

4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (PubChem CID 54678158) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
PubChem CID54678158
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
InChIKeyATDNAOUVAWAMRK-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (CID 54678158) is 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The InChIKey is ATDNAOUVAWAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26).
What are the key properties of 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.22, 7 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-4-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54678158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).