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

C25H25ClN2O2 — CID 118986857

IUPAC[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC(CN2CCCc3ccccc32)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O2/c1-18-8-14-22(15-9-18)27-25(29)30-24(20-10-12-21(26)13-11-20)17-28-16-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-15,24H,4,6,16-17H2,1H3,(H,27,29)
InChIKeyFVGFXENCQBFWLL-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.39
Rot. Bonds5

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

[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate (PubChem CID 118986857) 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-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate
PubChem CID118986857
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-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC(CN2CCCc3ccccc32)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O2/c1-18-8-14-22(15-9-18)27-25(29)30-24(20-10-12-21(26)13-11-20)17-28-16-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-15,24H,4,6,16-17H2,1H3,(H,27,29)
InChIKeyFVGFXENCQBFWLL-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-(4-methylphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate (CID 118986857) is [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OC(CN2CCCc3ccccc32)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate?
The InChIKey is FVGFXENCQBFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-18-8-14-22(15-9-18)27-25(29)30-24(20-10-12-21(26)13-11-20)17-28-16-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-15,24H,4,6,16-17H2,1H3,(H,27,29).
What are the key properties of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-methylphenyl)carbamate?
[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-(4-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-(4-methylphenyl)carbamate is sourced from PubChem (CID 118986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).