benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate

C19H16ClN3O2 — CID 169472338

IUPACbenzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2ncc(Cl)nc2c1)OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-18-12-22-16-9-8-14(11-17(16)23-18)7-4-10-21-19(24)25-13-15-5-2-1-3-6-15/h1-9,11-12H,10,13H2,(H,21,24)
InChIKeyGSJNEKMMOQUASI-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.22
Rot. Bonds5

About benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate

benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate (PubChem CID 169472338) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
PubChem CID169472338
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Namebenzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2ncc(Cl)nc2c1)OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-18-12-22-16-9-8-14(11-17(16)23-18)7-4-10-21-19(24)25-13-15-5-2-1-3-6-15/h1-9,11-12H,10,13H2,(H,21,24)
InChIKeyGSJNEKMMOQUASI-UHFFFAOYSA-N
XLogP4.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(1,3-benzothiazol-5-yl)prop-2-enyl]carbamate
CID 169471752
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
CID 169471789
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate (CID 169472338) is benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc2ncc(Cl)nc2c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate?
The InChIKey is GSJNEKMMOQUASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-18-12-22-16-9-8-14(11-17(16)23-18)7-4-10-21-19(24)25-13-15-5-2-1-3-6-15/h1-9,11-12H,10,13H2,(H,21,24).
What are the key properties of benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate?
benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate has a molecular weight of 353.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).