6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine

C19H29ClN6O — CID 56952336

IUPAC6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCN(C)CC1
InChIInChI=1S/C19H29ClN6O/c1-4-21-18-19(22-6-5-7-26-10-8-25(2)9-11-26)23-15-12-14(20)17(27-3)13-16(15)24-18/h12-13H,4-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAMWGPRUNCSRBBP-UHFFFAOYSA-N
MW392.94 g/mol
LogP2.77
Rot. Bonds8

About 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine

6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine (PubChem CID 56952336) has the molecular formula C19H29ClN6O and a molecular weight of 392.94 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
PubChem CID56952336
Molecular FormulaC19H29ClN6O
Molecular Weight392.94 g/mol
Exact Mass392.21
IUPAC Name6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCN(C)CC1
InChIInChI=1S/C19H29ClN6O/c1-4-21-18-19(22-6-5-7-26-10-8-25(2)9-11-26)23-15-12-14(20)17(27-3)13-16(15)24-18/h12-13H,4-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAMWGPRUNCSRBBP-UHFFFAOYSA-N
XLogP2.77
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine (CID 56952336) is 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCN(C)CC1.
What is the InChIKey of 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine?
The InChIKey is AMWGPRUNCSRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN6O/c1-4-21-18-19(22-6-5-7-26-10-8-25(2)9-11-26)23-15-12-14(20)17(27-3)13-16(15)24-18/h12-13H,4-11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine?
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine has a molecular weight of 392.94 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 56952336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).