N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide

C23H24N2O4 — CID 54728800

IUPACN-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide
SMILESCCCCOc1c(O)c2ccc(NC(=O)C=Cc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C23H24N2O4/c1-3-4-14-29-22-21(27)18-12-11-17(15-19(18)25(2)23(22)28)24-20(26)13-10-16-8-6-5-7-9-16/h5-13,15,27H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyMXJWFOPBUKKJBX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.07
Rot. Bonds7

About N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide

N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide (PubChem CID 54728800) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide
PubChem CID54728800
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide
SMILESCCCCOc1c(O)c2ccc(NC(=O)C=Cc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C23H24N2O4/c1-3-4-14-29-22-21(27)18-12-11-17(15-19(18)25(2)23(22)28)24-20(26)13-10-16-8-6-5-7-9-16/h5-13,15,27H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyMXJWFOPBUKKJBX-UHFFFAOYSA-N
XLogP4.07
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-hexyl-4-hydroxy-2-oxo-3-prop-2-enoxyquinolin-7-yl)-3-phenylprop-2-enamide
CID 54713911
N-[3-(3,7-dimethylocta-2,6-dienoxy)-4-hexoxy-1-methyl-2-oxoquinolin-7-yl]-3-phenylprop-2-enamide
CID 54572786
[4-hexoxy-1-octyl-2-oxo-7-[[(E)-3-phenylprop-2-enoyl]amino]quinolin-3-yl] acetate
CID 23301167
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
(E)-N-[4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxoquinolin-7-yl]-3-phenylprop-2-enamide
CID 23300470
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
N-[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hexoxy-1-hexyl-2-oxoquinolin-7-yl]-3-phenylprop-2-enamide
CID 70251869
(E)-N-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-octoxy-2-oxoquinolin-7-yl]-3-phenylprop-2-enamide
CID 23300713
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
[(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[7-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoylamino]-1-methyl-3-octoxy-2-oxoquinolin-4-yl]oxyoxan-2-yl]methyl benzoate
CID 173235590
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide?
The IUPAC name of N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide (CID 54728800) is N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide is CCCCOc1c(O)c2ccc(NC(=O)C=Cc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide?
The InChIKey is MXJWFOPBUKKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-4-14-29-22-21(27)18-12-11-17(15-19(18)25(2)23(22)28)24-20(26)13-10-16-8-6-5-7-9-16/h5-13,15,27H,3-4,14H2,1-2H3,(H,24,26).
What are the key properties of N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide?
N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 54728800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).