6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine

C20H24Cl2N6 — CID 67640185

IUPAC6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine
SMILESCNCCC(N)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccccn1
InChIInChI=1S/C20H24Cl2N6/c1-24-10-7-13(23)5-4-9-26-20-19(16-6-2-3-8-25-16)27-17-11-14(21)15(22)12-18(17)28-20/h2-3,6,8,11-13,24H,4-5,7,9-10,23H2,1H3,(H,26,28)
InChIKeyKHRZJILJAYDXAL-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.13
Rot. Bonds9

About 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine

6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine (PubChem CID 67640185) has the molecular formula C20H24Cl2N6 and a molecular weight of 419.36 g/mol. Its IUPAC name is 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine.

Molecular Properties

Compound Name6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine
PubChem CID67640185
Molecular FormulaC20H24Cl2N6
Molecular Weight419.36 g/mol
Exact Mass418.14
IUPAC Name6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine
SMILESCNCCC(N)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccccn1
InChIInChI=1S/C20H24Cl2N6/c1-24-10-7-13(23)5-4-9-26-20-19(16-6-2-3-8-25-16)27-17-11-14(21)15(22)12-18(17)28-20/h2-3,6,8,11-13,24H,4-5,7,9-10,23H2,1H3,(H,26,28)
InChIKeyKHRZJILJAYDXAL-UHFFFAOYSA-N
XLogP4.13
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine?
The IUPAC name of 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine (CID 67640185) is 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine.
What is the SMILES notation for 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine?
The canonical SMILES for 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine is CNCCC(N)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccccn1.
What is the InChIKey of 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine?
The InChIKey is KHRZJILJAYDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6/c1-24-10-7-13(23)5-4-9-26-20-19(16-6-2-3-8-25-16)27-17-11-14(21)15(22)12-18(17)28-20/h2-3,6,8,11-13,24H,4-5,7,9-10,23H2,1H3,(H,26,28).
What are the key properties of 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine?
6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine has a molecular weight of 419.36 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine is sourced from PubChem (CID 67640185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).