4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide

C24H22ClF2N5O — CID 66614359

IUPAC4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCCCCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C24H22ClF2N5O/c1-2-3-8-28-22-23-29-12-21(32(23)20-11-18(27)17(26)10-19(20)31-22)13-4-7-15(16(25)9-13)24(33)30-14-5-6-14/h4,7,9-12,14H,2-3,5-6,8H2,1H3,(H,28,31)(H,30,33)
InChIKeyYSUBFROJEIHLNX-UHFFFAOYSA-N
MW469.92 g/mol
LogP5.59
Rot. Bonds7

About 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide

4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide (PubChem CID 66614359) has the molecular formula C24H22ClF2N5O and a molecular weight of 469.92 g/mol. Its IUPAC name is 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
PubChem CID66614359
Molecular FormulaC24H22ClF2N5O
Molecular Weight469.92 g/mol
Exact Mass469.15
IUPAC Name4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCCCCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C24H22ClF2N5O/c1-2-3-8-28-22-23-29-12-21(32(23)20-11-18(27)17(26)10-19(20)31-22)13-4-7-15(16(25)9-13)24(33)30-14-5-6-14/h4,7,9-12,14H,2-3,5-6,8H2,1H3,(H,28,31)(H,30,33)
InChIKeyYSUBFROJEIHLNX-UHFFFAOYSA-N
XLogP5.59
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.92
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide with MolForge

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Related Compounds

4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
tert-butyl N-[3-[[1-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-7-cyanoimidazo[1,2-a]quinoxalin-4-yl]amino]propyl]carbamate
CID 70331651
2-chloro-N-cyclopropyl-4-[8-ethyl-7-methyl-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 91360212
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449
N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601296
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825
N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 159997775
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide (CID 66614359) is 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide is CCCCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.
What is the InChIKey of 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is YSUBFROJEIHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N5O/c1-2-3-8-28-22-23-29-12-21(32(23)20-11-18(27)17(26)10-19(20)31-22)13-4-7-15(16(25)9-13)24(33)30-14-5-6-14/h4,7,9-12,14H,2-3,5-6,8H2,1H3,(H,28,31)(H,30,33).
What are the key properties of 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 469.92 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 66614359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).