N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine

C16H14ClN3 — CID 60716470

IUPACN-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
SMILESCC(Nc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-14-4-2-3-5-15(14)20-16/h2-11H,1H3,(H,19,20)
InChIKeyQVJIEVRMJJDHNO-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.46
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine

N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine (PubChem CID 60716470) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
PubChem CID60716470
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
SMILESCC(Nc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-14-4-2-3-5-15(14)20-16/h2-11H,1H3,(H,19,20)
InChIKeyQVJIEVRMJJDHNO-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
CID 60644870
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 38006311
N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine
CID 166378482
N-[1-(5-methylthiophen-2-yl)ethyl]quinoxalin-2-amine
CID 47371005
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxalin-2-amine
CID 164640206
5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 142671286
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 58717096
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine (CID 60716470) is N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine is CC(Nc1cnc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine?
The InChIKey is QVJIEVRMJJDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-14-4-2-3-5-15(14)20-16/h2-11H,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine?
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 60716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).