[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

C23H23FN2O4 — CID 46538497

IUPAC[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C23H23FN2O4/c1-4-26(13-16-6-5-7-18(24)10-16)22(27)14-30-23(28)20-12-17-11-19(29-3)8-9-21(17)25-15(20)2/h5-12H,4,13-14H2,1-3H3
InChIKeyFIWUGEOCKBEZHX-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.90
Rot. Bonds7

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 46538497) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
PubChem CID46538497
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C23H23FN2O4/c1-4-26(13-16-6-5-7-18(24)10-16)22(27)14-30-23(28)20-12-17-11-19(29-3)8-9-21(17)25-15(20)2/h5-12H,4,13-14H2,1-3H3
InChIKeyFIWUGEOCKBEZHX-UHFFFAOYSA-N
XLogP3.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8628009
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235447
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235929
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18285291
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 55401385
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491494
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 30343934
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55473548
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824642
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644203

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (CID 46538497) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc2cc(OC)ccc2nc1C.
What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is FIWUGEOCKBEZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-4-26(13-16-6-5-7-18(24)10-16)22(27)14-30-23(28)20-12-17-11-19(29-3)8-9-21(17)25-15(20)2/h5-12H,4,13-14H2,1-3H3.
What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 46538497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).