[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol

C18H21Cl2N5O2 — CID 141071230

IUPAC[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCN3CCOCC3)nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C18H21Cl2N5O2/c19-13-8-15-16(9-14(13)20)25-12(11-26)10-22-18(25)17(23-15)21-2-1-3-24-4-6-27-7-5-24/h8-10,26H,1-7,11H2,(H,21,23)
InChIKeyMLBHLWNLHAQGAG-UHFFFAOYSA-N
MW410.31 g/mol
LogP2.82
Rot. Bonds6

About [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol

[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol (PubChem CID 141071230) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol.

Molecular Properties

Compound Name[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
PubChem CID141071230
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCN3CCOCC3)nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C18H21Cl2N5O2/c19-13-8-15-16(9-14(13)20)25-12(11-26)10-22-18(25)17(23-15)21-2-1-3-24-4-6-27-7-5-24/h8-10,26H,1-7,11H2,(H,21,23)
InChIKeyMLBHLWNLHAQGAG-UHFFFAOYSA-N
XLogP2.82
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.82
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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Related Compounds

2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
7-fluoro-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 4149249
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141155093
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 4228163
[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141071246
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850

Frequently Asked Questions

What is the IUPAC name of [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The IUPAC name of [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol (CID 141071230) is [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol.
What is the SMILES notation for [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The canonical SMILES for [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol is OCc1cnc2c(NCCCN3CCOCC3)nc3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The InChIKey is MLBHLWNLHAQGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2/c19-13-8-15-16(9-14(13)20)25-12(11-26)10-22-18(25)17(23-15)21-2-1-3-24-4-6-27-7-5-24/h8-10,26H,1-7,11H2,(H,21,23).
What are the key properties of [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol has a molecular weight of 410.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol is sourced from PubChem (CID 141071230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).