quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate

C19H13F3N2O2 — CID 15256436

IUPACquinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate
SMILESCc1ccc(/C(=N/C(=O)Oc2ccc3ccccc3n2)C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c1-12-6-8-14(9-7-12)17(19(20,21)22)24-18(25)26-16-11-10-13-4-2-3-5-15(13)23-16/h2-11H,1H3/b24-17-
InChIKeyVZTMDAVDUWQLEI-ULJHMMPZSA-N
MW358.32 g/mol
LogP5.09
Rot. Bonds2

About quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate

quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate (PubChem CID 15256436) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate.

Molecular Properties

Compound Namequinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate
PubChem CID15256436
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Namequinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate
SMILESCc1ccc(/C(=N/C(=O)Oc2ccc3ccccc3n2)C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c1-12-6-8-14(9-7-12)17(19(20,21)22)24-18(25)26-16-11-10-13-4-2-3-5-15(13)23-16/h2-11H,1H3/b24-17-
InChIKeyVZTMDAVDUWQLEI-ULJHMMPZSA-N
XLogP5.09
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate?
The IUPAC name of quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate (CID 15256436) is quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate.
What is the SMILES notation for quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate?
The canonical SMILES for quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate is Cc1ccc(/C(=N/C(=O)Oc2ccc3ccccc3n2)C(F)(F)F)cc1.
What is the InChIKey of quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate?
The InChIKey is VZTMDAVDUWQLEI-ULJHMMPZSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c1-12-6-8-14(9-7-12)17(19(20,21)22)24-18(25)26-16-11-10-13-4-2-3-5-15(13)23-16/h2-11H,1H3/b24-17-.
What are the key properties of quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate?
quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate has a molecular weight of 358.32 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate is sourced from PubChem (CID 15256436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).