benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate

C20H18N2O2 — CID 169471802

IUPACbenzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccc2ccccc2n1)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24-15-16-7-2-1-3-8-16)21-14-6-10-18-13-12-17-9-4-5-11-19(17)22-18/h1-13H,14-15H2,(H,21,23)
InChIKeyYPFRXIJGCSXSIT-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.17
Rot. Bonds5

About benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate

benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate (PubChem CID 169471802) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
PubChem CID169471802
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namebenzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccc2ccccc2n1)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24-15-16-7-2-1-3-8-16)21-14-6-10-18-13-12-17-9-4-5-11-19(17)22-18/h1-13H,14-15H2,(H,21,23)
InChIKeyYPFRXIJGCSXSIT-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169472638
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169472695
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
CID 169471789

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate (CID 169471802) is benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate is O=C(NCC=Cc1ccc2ccccc2n1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate?
The InChIKey is YPFRXIJGCSXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24-15-16-7-2-1-3-8-16)21-14-6-10-18-13-12-17-9-4-5-11-19(17)22-18/h1-13H,14-15H2,(H,21,23).
What are the key properties of benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate?
benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate has a molecular weight of 318.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169471802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).