4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide

C22H24N2O4 — CID 54707572

IUPAC4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCc2ccc(OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-3-14-24-18-7-5-4-6-17(18)20(25)19(22(24)27)21(26)23-13-12-15-8-10-16(28-2)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyYAYMYODUTXMMTH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.10
Rot. Bonds7

About 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide

4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54707572) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54707572
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCc2ccc(OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-3-14-24-18-7-5-4-6-17(18)20(25)19(22(24)27)21(26)23-13-12-15-8-10-16(28-2)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyYAYMYODUTXMMTH-UHFFFAOYSA-N
XLogP3.10
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide (CID 54707572) is 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCCc2ccc(OC)cc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is YAYMYODUTXMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-14-24-18-7-5-4-6-17(18)20(25)19(22(24)27)21(26)23-13-12-15-8-10-16(28-2)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide?
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54707572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).