6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine

C18H26ClN5O — CID 56952337

IUPAC6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCCC1
InChIInChI=1S/C18H26ClN5O/c1-3-20-17-18(21-7-6-10-24-8-4-5-9-24)22-14-11-13(19)16(25-2)12-15(14)23-17/h11-12H,3-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHOJCENDEYQMRRC-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.62
Rot. Bonds8

About 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine

6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine (PubChem CID 56952337) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
PubChem CID56952337
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCCC1
InChIInChI=1S/C18H26ClN5O/c1-3-20-17-18(21-7-6-10-24-8-4-5-9-24)22-14-11-13(19)16(25-2)12-15(14)23-17/h11-12H,3-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHOJCENDEYQMRRC-UHFFFAOYSA-N
XLogP3.62
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451757
N-[3-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451766
CID 139451790
CID 139451790
6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
CID 56952335
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
CID 56952336
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
CID 56952429
6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
CID 56952532
6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine
CID 56952636
6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
CID 56952731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine (CID 56952337) is 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCCC1.
What is the InChIKey of 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine?
The InChIKey is HOJCENDEYQMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O/c1-3-20-17-18(21-7-6-10-24-8-4-5-9-24)22-14-11-13(19)16(25-2)12-15(14)23-17/h11-12H,3-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine?
6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine has a molecular weight of 363.89 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 56952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).