benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate

C18H17N3O2 — CID 10804659

IUPACbenzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C18H17N3O2/c1-13(17-11-19-15-9-5-6-10-16(15)21-17)20-18(22)23-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyGNIKFJNJKQUUPW-ZDUSSCGKSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds4

About benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate

benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate (PubChem CID 10804659) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
PubChem CID10804659
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namebenzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C18H17N3O2/c1-13(17-11-19-15-9-5-6-10-16(15)21-17)20-18(22)23-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyGNIKFJNJKQUUPW-ZDUSSCGKSA-N
XLogP3.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate (CID 10804659) is benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate is C[C@H](NC(=O)OCc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate?
The InChIKey is GNIKFJNJKQUUPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(17-11-19-15-9-5-6-10-16(15)21-17)20-18(22)23-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate?
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate is sourced from PubChem (CID 10804659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).