benzyl N-(3-ethenylquinolin-7-yl)carbamate

C19H16N2O2 — CID 68703364

IUPACbenzyl N-(3-ethenylquinolin-7-yl)carbamate
SMILESC=Cc1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1
InChIInChI=1S/C19H16N2O2/c1-2-14-10-16-8-9-17(11-18(16)20-12-14)21-19(22)23-13-15-6-4-3-5-7-15/h2-12H,1,13H2,(H,21,22)
InChIKeyXPYGXJGWWFOPPR-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.63
Rot. Bonds4

About benzyl N-(3-ethenylquinolin-7-yl)carbamate

benzyl N-(3-ethenylquinolin-7-yl)carbamate (PubChem CID 68703364) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is benzyl N-(3-ethenylquinolin-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-ethenylquinolin-7-yl)carbamate
PubChem CID68703364
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Namebenzyl N-(3-ethenylquinolin-7-yl)carbamate
SMILESC=Cc1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1
InChIInChI=1S/C19H16N2O2/c1-2-14-10-16-8-9-17(11-18(16)20-12-14)21-19(22)23-13-15-6-4-3-5-7-15/h2-12H,1,13H2,(H,21,22)
InChIKeyXPYGXJGWWFOPPR-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-ethenylquinolin-7-yl)carbamate?
The IUPAC name of benzyl N-(3-ethenylquinolin-7-yl)carbamate (CID 68703364) is benzyl N-(3-ethenylquinolin-7-yl)carbamate.
What is the SMILES notation for benzyl N-(3-ethenylquinolin-7-yl)carbamate?
The canonical SMILES for benzyl N-(3-ethenylquinolin-7-yl)carbamate is C=Cc1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1.
What is the InChIKey of benzyl N-(3-ethenylquinolin-7-yl)carbamate?
The InChIKey is XPYGXJGWWFOPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-14-10-16-8-9-17(11-18(16)20-12-14)21-19(22)23-13-15-6-4-3-5-7-15/h2-12H,1,13H2,(H,21,22).
What are the key properties of benzyl N-(3-ethenylquinolin-7-yl)carbamate?
benzyl N-(3-ethenylquinolin-7-yl)carbamate has a molecular weight of 304.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-ethenylquinolin-7-yl)carbamate is sourced from PubChem (CID 68703364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).