ethyl N-(1-benzylquinolin-2-ylidene)carbamate

C19H18N2O2 — CID 20981932

IUPACethyl N-(1-benzylquinolin-2-ylidene)carbamate
SMILESCCOC(=O)N=c1ccc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-23-19(22)20-18-13-12-16-10-6-7-11-17(16)21(18)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyIUKGJKAYRJUCJB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.75
Rot. Bonds3

About ethyl N-(1-benzylquinolin-2-ylidene)carbamate

ethyl N-(1-benzylquinolin-2-ylidene)carbamate (PubChem CID 20981932) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl N-(1-benzylquinolin-2-ylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(1-benzylquinolin-2-ylidene)carbamate
PubChem CID20981932
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl N-(1-benzylquinolin-2-ylidene)carbamate
SMILESCCOC(=O)N=c1ccc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-23-19(22)20-18-13-12-16-10-6-7-11-17(16)21(18)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyIUKGJKAYRJUCJB-UHFFFAOYSA-N
XLogP3.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(1-benzylindol-2-yl)acetate
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ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate
CID 162407907
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
CID 84576657
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
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ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 5-benzyl-4-(hydroxymethyl)pyrimido[5,4-b]indole-2-carboxylate
CID 134840109

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-benzylquinolin-2-ylidene)carbamate?
The IUPAC name of ethyl N-(1-benzylquinolin-2-ylidene)carbamate (CID 20981932) is ethyl N-(1-benzylquinolin-2-ylidene)carbamate.
What is the SMILES notation for ethyl N-(1-benzylquinolin-2-ylidene)carbamate?
The canonical SMILES for ethyl N-(1-benzylquinolin-2-ylidene)carbamate is CCOC(=O)N=c1ccc2ccccc2n1Cc1ccccc1.
What is the InChIKey of ethyl N-(1-benzylquinolin-2-ylidene)carbamate?
The InChIKey is IUKGJKAYRJUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-23-19(22)20-18-13-12-16-10-6-7-11-17(16)21(18)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl N-(1-benzylquinolin-2-ylidene)carbamate?
ethyl N-(1-benzylquinolin-2-ylidene)carbamate has a molecular weight of 306.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-benzylquinolin-2-ylidene)carbamate is sourced from PubChem (CID 20981932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).