[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine

C21H15Cl2N3 — CID 58524219

IUPAC[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15Cl2N3/c22-16-10-18-19(11-17(16)23)26-21(15-8-6-13(12-24)7-9-15)20(25-18)14-4-2-1-3-5-14/h1-11H,12,24H2
InChIKeyNVLNMNLWEZFVOC-UHFFFAOYSA-N
MW380.28 g/mol
LogP5.73
Rot. Bonds3

About [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine

[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine (PubChem CID 58524219) has the molecular formula C21H15Cl2N3 and a molecular weight of 380.28 g/mol. Its IUPAC name is [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
PubChem CID58524219
Molecular FormulaC21H15Cl2N3
Molecular Weight380.28 g/mol
Exact Mass379.06
IUPAC Name[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15Cl2N3/c22-16-10-18-19(11-17(16)23)26-21(15-8-6-13(12-24)7-9-15)20(25-18)14-4-2-1-3-5-14/h1-11H,12,24H2
InChIKeyNVLNMNLWEZFVOC-UHFFFAOYSA-N
XLogP5.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine?
The IUPAC name of [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine (CID 58524219) is [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine is NCc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine?
The InChIKey is NVLNMNLWEZFVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3/c22-16-10-18-19(11-17(16)23)26-21(15-8-6-13(12-24)7-9-15)20(25-18)14-4-2-1-3-5-14/h1-11H,12,24H2.
What are the key properties of [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine?
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine has a molecular weight of 380.28 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine is sourced from PubChem (CID 58524219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).