[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

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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).