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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Related Compounds

N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54687734
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680

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).