6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine

C20H32ClN5O — CID 56952429

IUPAC6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NC(C)CCCN(CC)CC
InChIInChI=1S/C20H32ClN5O/c1-6-22-19-20(23-14(4)10-9-11-26(7-2)8-3)25-16-12-15(21)18(27-5)13-17(16)24-19/h12-14H,6-11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyIHZDAOVTULYOLJ-UHFFFAOYSA-N
MW393.96 g/mol
LogP4.65
Rot. Bonds11

About 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine

6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine (PubChem CID 56952429) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
PubChem CID56952429
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NC(C)CCCN(CC)CC
InChIInChI=1S/C20H32ClN5O/c1-6-22-19-20(23-14(4)10-9-11-26(7-2)8-3)25-16-12-15(21)18(27-5)13-17(16)24-19/h12-14H,6-11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyIHZDAOVTULYOLJ-UHFFFAOYSA-N
XLogP4.65
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine (CID 56952429) is 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(Cl)cc2nc1NC(C)CCCN(CC)CC.
What is the InChIKey of 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine?
The InChIKey is IHZDAOVTULYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-6-22-19-20(23-14(4)10-9-11-26(7-2)8-3)25-16-12-15(21)18(27-5)13-17(16)24-19/h12-14H,6-11H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine?
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine has a molecular weight of 393.96 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine is sourced from PubChem (CID 56952429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).