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

C24H23ClN2O2 — CID 118986854

IUPAC[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c25-20-14-12-19(13-15-20)23(29-24(28)26-21-9-2-1-3-10-21)17-27-16-6-8-18-7-4-5-11-22(18)27/h1-5,7,9-15,23H,6,8,16-17H2,(H,26,28)
InChIKeyAIRWOKHKIVSFJM-UHFFFAOYSA-N
MW406.91 g/mol
LogP6.08
Rot. Bonds5

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

[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate (PubChem CID 118986854) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate
PubChem CID118986854
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c25-20-14-12-19(13-15-20)23(29-24(28)26-21-9-2-1-3-10-21)17-27-16-6-8-18-7-4-5-11-22(18)27/h1-5,7,9-15,23H,6,8,16-17H2,(H,26,28)
InChIKeyAIRWOKHKIVSFJM-UHFFFAOYSA-N
XLogP6.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.08
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-phenylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate (CID 118986854) is [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC(CN1CCCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate?
The InChIKey is AIRWOKHKIVSFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-20-14-12-19(13-15-20)23(29-24(28)26-21-9-2-1-3-10-21)17-27-16-6-8-18-7-4-5-11-22(18)27/h1-5,7,9-15,23H,6,8,16-17H2,(H,26,28).
What are the key properties of [1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate?
[1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethyl] N-phenylcarbamate has a molecular weight of 406.91 g/mol, XLogP of 6.08, 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-phenylcarbamate is sourced from PubChem (CID 118986854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).