ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine

C23H26FN3O4 — CID 143334312

IUPACethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCOC(=O)N(C)c1c(C)c(C=O)c(O)c2ncccc12.CNCc1ccc(F)cc1
InChIInChI=1S/C15H16N2O4.C8H10FN/c1-4-21-15(20)17(3)13-9(2)11(8-18)14(19)12-10(13)6-5-7-16-12;1-10-6-7-2-4-8(9)5-3-7/h5-8,19H,4H2,1-3H3;2-5,10H,6H2,1H3
InChIKeyUVIRUFGGNHUNEF-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.20
Rot. Bonds5

About ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine

ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 143334312) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID143334312
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Nameethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCOC(=O)N(C)c1c(C)c(C=O)c(O)c2ncccc12.CNCc1ccc(F)cc1
InChIInChI=1S/C15H16N2O4.C8H10FN/c1-4-21-15(20)17(3)13-9(2)11(8-18)14(19)12-10(13)6-5-7-16-12;1-10-6-7-2-4-8(9)5-3-7/h5-8,19H,4H2,1-3H3;2-5,10H,6H2,1H3
InChIKeyUVIRUFGGNHUNEF-UHFFFAOYSA-N
XLogP4.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
CID 143584291
5-[dimethylaminosulfanyl(methyl)amino]-4-ethenyl-2-hydroxy-6-methyl-3-(methylideneamino)benzaldehyde;1-(4-fluorophenyl)-N-methylmethanamine
CID 143334282
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
CID 45481699
7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-5-[methyl(pyridin-4-ylmethylsulfamoyl)amino]pyrrolo[3,4-g]quinoline
CID 91100083
6-[[(4-fluorophenyl)methylamino]-(3-oxo-3-piperazin-1-ylpropyl)sulfanylmethyl]-8-hydroxy-5-methoxyquinoline-7-carbaldehyde
CID 142886053
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 91518317
6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
CID 143149286
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182

Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine (CID 143334312) is ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine is CCOC(=O)N(C)c1c(C)c(C=O)c(O)c2ncccc12.CNCc1ccc(F)cc1.
What is the InChIKey of ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is UVIRUFGGNHUNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4.C8H10FN/c1-4-21-15(20)17(3)13-9(2)11(8-18)14(19)12-10(13)6-5-7-16-12;1-10-6-7-2-4-8(9)5-3-7/h5-8,19H,4H2,1-3H3;2-5,10H,6H2,1H3.
What are the key properties of ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine?
ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 427.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 143334312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).