[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate

C25H25ClN2O2 — CID 118986855

IUPAC[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN2O2/c1-18-7-2-4-10-22(18)27-25(29)30-24(20-12-14-21(26)15-13-20)17-28-16-6-9-19-8-3-5-11-23(19)28/h2-5,7-8,10-15,24H,6,9,16-17H2,1H3,(H,27,29)
InChIKeyQXKKZOCMVAPFID-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.39
Rot. Bonds5

About [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate

[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate (PubChem CID 118986855) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate
PubChem CID118986855
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN2O2/c1-18-7-2-4-10-22(18)27-25(29)30-24(20-12-14-21(26)15-13-20)17-28-16-6-9-19-8-3-5-11-23(19)28/h2-5,7-8,10-15,24H,6,9,16-17H2,1H3,(H,27,29)
InChIKeyQXKKZOCMVAPFID-UHFFFAOYSA-N
XLogP6.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate (CID 118986855) is [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate?
The InChIKey is QXKKZOCMVAPFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-18-7-2-4-10-22(18)27-25(29)30-24(20-12-14-21(26)15-13-20)17-28-16-6-9-19-8-3-5-11-23(19)28/h2-5,7-8,10-15,24H,6,9,16-17H2,1H3,(H,27,29).
What are the key properties of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate?
[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate has a molecular weight of 420.94 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(2-methylphenyl)carbamate is sourced from PubChem (CID 118986855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).