quinolin-7-yl N,N-diethylcarbamate

C14H16N2O2 — CID 11334036

IUPACquinolin-7-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2cccnc2c1
InChIInChI=1S/C14H16N2O2/c1-3-16(4-2)14(17)18-12-8-7-11-6-5-9-15-13(11)10-12/h5-10H,3-4H2,1-2H3
InChIKeyUBMMLTWYBARHRK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.08
Rot. Bonds3

About quinolin-7-yl N,N-diethylcarbamate

quinolin-7-yl N,N-diethylcarbamate (PubChem CID 11334036) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is quinolin-7-yl N,N-diethylcarbamate.

Molecular Properties

Compound Namequinolin-7-yl N,N-diethylcarbamate
PubChem CID11334036
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namequinolin-7-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2cccnc2c1
InChIInChI=1S/C14H16N2O2/c1-3-16(4-2)14(17)18-12-8-7-11-6-5-9-15-13(11)10-12/h5-10H,3-4H2,1-2H3
InChIKeyUBMMLTWYBARHRK-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl N,N-diethylcarbamate?
The IUPAC name of quinolin-7-yl N,N-diethylcarbamate (CID 11334036) is quinolin-7-yl N,N-diethylcarbamate.
What is the SMILES notation for quinolin-7-yl N,N-diethylcarbamate?
The canonical SMILES for quinolin-7-yl N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2cccnc2c1.
What is the InChIKey of quinolin-7-yl N,N-diethylcarbamate?
The InChIKey is UBMMLTWYBARHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16(4-2)14(17)18-12-8-7-11-6-5-9-15-13(11)10-12/h5-10H,3-4H2,1-2H3.
What are the key properties of quinolin-7-yl N,N-diethylcarbamate?
quinolin-7-yl N,N-diethylcarbamate has a molecular weight of 244.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl N,N-diethylcarbamate is sourced from PubChem (CID 11334036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).