[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone

C26H27FN2O2 — CID 16672039

IUPAC[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
SMILESCN(Cc1ccccc1)CC(O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F
InChIInChI=1S/C26H27FN2O2/c1-28(17-19-8-3-2-4-9-19)18-25(30)21-13-14-24-20(16-21)10-7-15-29(24)26(31)22-11-5-6-12-23(22)27/h2-6,8-9,11-14,16,25,30H,7,10,15,17-18H2,1H3
InChIKeyIFWGEOSMPBRJOL-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.58
Rot. Bonds6

About [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone

[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 16672039) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
PubChem CID16672039
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
SMILESCN(Cc1ccccc1)CC(O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F
InChIInChI=1S/C26H27FN2O2/c1-28(17-19-8-3-2-4-9-19)18-25(30)21-13-14-24-20(16-21)10-7-15-29(24)26(31)22-11-5-6-12-23(22)27/h2-6,8-9,11-14,16,25,30H,7,10,15,17-18H2,1H3
InChIKeyIFWGEOSMPBRJOL-UHFFFAOYSA-N
XLogP4.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone with MolForge

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Related Compounds

[13-chloro-7-[(E)-prop-1-enyl]-2,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-2-yl]-(2-fluorophenyl)methanone
CID 143074170
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965244
[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 51593365
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
[3-acetyloxy-4-[6-[hydroxy(phenylmethoxy)methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl] acetate
CID 123296146
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
bis(2-methylpropyl) 4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-dicarboxylate
CID 91886360

Frequently Asked Questions

What is the IUPAC name of [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone (CID 16672039) is [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone is CN(Cc1ccccc1)CC(O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F.
What is the InChIKey of [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is IFWGEOSMPBRJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-28(17-19-8-3-2-4-9-19)18-25(30)21-13-14-24-20(16-21)10-7-15-29(24)26(31)22-11-5-6-12-23(22)27/h2-6,8-9,11-14,16,25,30H,7,10,15,17-18H2,1H3.
What are the key properties of [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone?
[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 418.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 16672039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).