2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline

C16H13Cl2N3 — CID 20787676

IUPAC2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1nc2ccccc2nc1CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-10-16(21-14-5-3-2-4-13(14)20-10)9-19-15-8-11(17)6-7-12(15)18/h2-8,19H,9H2,1H3
InChIKeyUAAANJMSGFHWAG-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.86
Rot. Bonds3

About 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline

2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline (PubChem CID 20787676) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline
PubChem CID20787676
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1nc2ccccc2nc1CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-10-16(21-14-5-3-2-4-13(14)20-10)9-19-15-8-11(17)6-7-12(15)18/h2-8,19H,9H2,1H3
InChIKeyUAAANJMSGFHWAG-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2,3-dimethylquinoxaline
CID 236280
3-chloro-N-[[6-[(3-chloroanilino)methyl]-2-pyridinyl]methyl]aniline
CID 21130232
2-Chlorophenazine
CID 345310
2,5-Dichloroquinoxaline
CID 10679487
2-chloro-N-[[6-[(2-chloroanilino)methyl]-2-pyridinyl]methyl]aniline
CID 21130255
7-Chloro-2-phenazinamine
CID 615314
5-Chloroquinoxaline
CID 596285
2,3,5-Trichloroquinoxaline
CID 14783646
N-(2-chlorophenyl)quinoxalin-5-amine
CID 846095
2,7-Dichlorophenazine
CID 258424
1,6-Dichlorophenazine
CID 619227
1,2-Dichlorophenazine
CID 619233

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The IUPAC name of 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline (CID 20787676) is 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline is Cc1nc2ccccc2nc1CNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The InChIKey is UAAANJMSGFHWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-10-16(21-14-5-3-2-4-13(14)20-10)9-19-15-8-11(17)6-7-12(15)18/h2-8,19H,9H2,1H3.
What are the key properties of 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline has a molecular weight of 318.21 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline is sourced from PubChem (CID 20787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).