N-(3-chlorophenyl)-3-methylquinoxalin-2-amine

C15H12ClN3 — CID 911234

IUPACN-(3-chlorophenyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c1-10-15(18-12-6-4-5-11(16)9-12)19-14-8-3-2-7-13(14)17-10/h2-9H,1H3,(H,18,19)
InChIKeyHQKKWEDTXRPCIJ-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.34
Rot. Bonds2

About N-(3-chlorophenyl)-3-methylquinoxalin-2-amine

N-(3-chlorophenyl)-3-methylquinoxalin-2-amine (PubChem CID 911234) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methylquinoxalin-2-amine
PubChem CID911234
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-(3-chlorophenyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c1-10-15(18-12-6-4-5-11(16)9-12)19-14-8-3-2-7-13(14)17-10/h2-9H,1H3,(H,18,19)
InChIKeyHQKKWEDTXRPCIJ-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-3-methylquinoxalin-2-amine (CID 911234) is N-(3-chlorophenyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-methylquinoxalin-2-amine?
The InChIKey is HQKKWEDTXRPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10-15(18-12-6-4-5-11(16)9-12)19-14-8-3-2-7-13(14)17-10/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-methylquinoxalin-2-amine?
N-(3-chlorophenyl)-3-methylquinoxalin-2-amine has a molecular weight of 269.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 911234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).