ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate

C22H27FN2O2 — CID 59368884

IUPACethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)Cc2ccc3c(c2)NCCC3)cc1F
InChIInChI=1S/C22H27FN2O2/c1-3-27-22(26)11-9-17-8-10-19(14-20(17)23)25(2)15-16-6-7-18-5-4-12-24-21(18)13-16/h6-8,10,13-14,24H,3-5,9,11-12,15H2,1-2H3
InChIKeyKUMGQLHGQJYHFS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.32
Rot. Bonds7

About ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate

ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate (PubChem CID 59368884) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate
PubChem CID59368884
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Nameethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)Cc2ccc3c(c2)NCCC3)cc1F
InChIInChI=1S/C22H27FN2O2/c1-3-27-22(26)11-9-17-8-10-19(14-20(17)23)25(2)15-16-6-7-18-5-4-12-24-21(18)13-16/h6-8,10,13-14,24H,3-5,9,11-12,15H2,1-2H3
InChIKeyKUMGQLHGQJYHFS-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate with MolForge

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Related Compounds

Ethyl (1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10822751
Ethyl 2-[[4-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]piperidin-1-yl]phenyl]methyl]butanoate
CID 127052476
2-(Diethylamino)ethyl 10-methyl-9,10-dihydroacridine-9-carboxylate--hydrogen chloride (1/1)
CID 50841
Ethyl 2-[4-[(4-fluorophenyl)methylamino]phenyl]acetate
CID 5127207
Methyl 9-anilino-9-(4-fluorophenyl)nonanoate
CID 162397061
3-(1,2,3,4-Tetrahydro-quinolin-2-yl)-propionic acid ethyl ester
CID 132051800
Ethyl 2-amino-3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
CID 162624341
2-(4-fluorophenyl)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide
CID 56793876
methyl 7-(3-(4-(trifluoromethyl)phenyl)propanamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71807096
ethyl 2-[4-[4-[amino-[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]cyclohexyl]acetate
CID 11621664
Methyl 3-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]phenyl]propanoate
CID 14209770
Ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
CID 15232656

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate (CID 59368884) is ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate is CCOC(=O)CCc1ccc(N(C)Cc2ccc3c(c2)NCCC3)cc1F.
What is the InChIKey of ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate?
The InChIKey is KUMGQLHGQJYHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-27-22(26)11-9-17-8-10-19(14-20(17)23)25(2)15-16-6-7-18-5-4-12-24-21(18)13-16/h6-8,10,13-14,24H,3-5,9,11-12,15H2,1-2H3.
What are the key properties of ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate?
ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate has a molecular weight of 370.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoate is sourced from PubChem (CID 59368884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).