2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone

C26H29N5O — CID 147534440

IUPAC2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
SMILESCN(C)CCCNc1nc2ccccc2n2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12
InChIInChI=1S/C26H29N5O/c1-30(2)15-5-14-27-25-26-28-17-23(31(26)22-7-4-3-6-21(22)29-25)19-10-12-20(13-11-19)24(32)16-18-8-9-18/h3-4,6-7,10-13,17-18H,5,8-9,14-16H2,1-2H3,(H,27,29)
InChIKeyFNROPXGXHIKSSZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.90
Rot. Bonds9

About 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone

2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone (PubChem CID 147534440) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
PubChem CID147534440
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
SMILESCN(C)CCCNc1nc2ccccc2n2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12
InChIInChI=1S/C26H29N5O/c1-30(2)15-5-14-27-25-26-28-17-23(31(26)22-7-4-3-6-21(22)29-25)19-10-12-20(13-11-19)24(32)16-18-8-9-18/h3-4,6-7,10-13,17-18H,5,8-9,14-16H2,1-2H3,(H,27,29)
InChIKeyFNROPXGXHIKSSZ-UHFFFAOYSA-N
XLogP4.90
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
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 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone (CID 147534440) is 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone is CN(C)CCCNc1nc2ccccc2n2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12.
What is the InChIKey of 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The InChIKey is FNROPXGXHIKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-30(2)15-5-14-27-25-26-28-17-23(31(26)22-7-4-3-6-21(22)29-25)19-10-12-20(13-11-19)24(32)16-18-8-9-18/h3-4,6-7,10-13,17-18H,5,8-9,14-16H2,1-2H3,(H,27,29).
What are the key properties of 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone has a molecular weight of 427.55 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone is sourced from PubChem (CID 147534440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).