N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide

C22H20N2O5 — CID 67345550

IUPACN-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C=CC(=O)c2c(O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C22H20N2O5/c1-24-17-9-4-3-8-16(17)21(27)20(22(24)28)18(25)11-10-14-6-5-7-15(12-14)23-19(26)13-29-2/h3-12,27H,13H2,1-2H3,(H,23,26)
InChIKeyQPHAHBIVLWKORE-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.73
Rot. Bonds6

About N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide

N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide (PubChem CID 67345550) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
PubChem CID67345550
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C=CC(=O)c2c(O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C22H20N2O5/c1-24-17-9-4-3-8-16(17)21(27)20(22(24)28)18(25)11-10-14-6-5-7-15(12-14)23-19(26)13-29-2/h3-12,27H,13H2,1-2H3,(H,23,26)
InChIKeyQPHAHBIVLWKORE-UHFFFAOYSA-N
XLogP2.73
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[3-(3-methylanilino)but-2-enoyl]quinolin-2-one
CID 54683787
2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide
CID 23131884
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-hydroxy-1-methyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698785
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione
CID 54697123
4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698783
2-methoxy-N-[3-[3-(2-methyl-1,1,4-trioxo-3H-1λ6,2-benzothiazin-3-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 91539399
3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-ethyl-4-hydroxyquinolin-2-one
CID 72545564
N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11638988
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
2-hydroxy-4-[[(E)-4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 54722153
N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
CID 174721053

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide (CID 67345550) is N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(C=CC(=O)c2c(O)c3ccccc3n(C)c2=O)c1.
What is the InChIKey of N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The InChIKey is QPHAHBIVLWKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-24-17-9-4-3-8-16(17)21(27)20(22(24)28)18(25)11-10-14-6-5-7-15(12-14)23-19(26)13-29-2/h3-12,27H,13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide has a molecular weight of 392.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 67345550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).