quinolin-8-yl N-methyl-N-phenylcarbamate

C17H14N2O2 — CID 701779

IUPACquinolin-8-yl N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19(14-9-3-2-4-10-14)17(20)21-15-11-5-7-13-8-6-12-18-16(13)15/h2-12H,1H3
InChIKeyYBBHRQSZPDDWNW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.87
Rot. Bonds2

About quinolin-8-yl N-methyl-N-phenylcarbamate

quinolin-8-yl N-methyl-N-phenylcarbamate (PubChem CID 701779) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is quinolin-8-yl N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Namequinolin-8-yl N-methyl-N-phenylcarbamate
PubChem CID701779
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namequinolin-8-yl N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19(14-9-3-2-4-10-14)17(20)21-15-11-5-7-13-8-6-12-18-16(13)15/h2-12H,1H3
InChIKeyYBBHRQSZPDDWNW-UHFFFAOYSA-N
XLogP3.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-methyl-N-phenylcarbamate?
The IUPAC name of quinolin-8-yl N-methyl-N-phenylcarbamate (CID 701779) is quinolin-8-yl N-methyl-N-phenylcarbamate.
What is the SMILES notation for quinolin-8-yl N-methyl-N-phenylcarbamate?
The canonical SMILES for quinolin-8-yl N-methyl-N-phenylcarbamate is CN(C(=O)Oc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of quinolin-8-yl N-methyl-N-phenylcarbamate?
The InChIKey is YBBHRQSZPDDWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19(14-9-3-2-4-10-14)17(20)21-15-11-5-7-13-8-6-12-18-16(13)15/h2-12H,1H3.
What are the key properties of quinolin-8-yl N-methyl-N-phenylcarbamate?
quinolin-8-yl N-methyl-N-phenylcarbamate has a molecular weight of 278.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl N-methyl-N-phenylcarbamate is sourced from PubChem (CID 701779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).