N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide

C25H27N5O3 — CID 68761182

IUPACN-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCc1cc2nc(NCC(O)CO)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C
InChIInChI=1S/C25H27N5O3/c1-14-9-20-21(10-15(14)2)30-22(12-27-24(30)23(29-20)26-11-19(32)13-31)16-3-5-17(6-4-16)25(33)28-18-7-8-18/h3-6,9-10,12,18-19,31-32H,7-8,11,13H2,1-2H3,(H,26,29)(H,28,33)
InChIKeyUVDVGQMTBRHXSF-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.82
Rot. Bonds7

About N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide

N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide (PubChem CID 68761182) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
PubChem CID68761182
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCc1cc2nc(NCC(O)CO)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C
InChIInChI=1S/C25H27N5O3/c1-14-9-20-21(10-15(14)2)30-22(12-27-24(30)23(29-20)26-11-19(32)13-31)16-3-5-17(6-4-16)25(33)28-18-7-8-18/h3-6,9-10,12,18-19,31-32H,7-8,11,13H2,1-2H3,(H,26,29)(H,28,33)
InChIKeyUVDVGQMTBRHXSF-UHFFFAOYSA-N
XLogP2.82
TPSA111.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
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
N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 158779628
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
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
N-cyclopropyl-4-[6-(3-hydroxypropyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123415
N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 54767663
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-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide (CID 68761182) is N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide is Cc1cc2nc(NCC(O)CO)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3c2cc1C.
What is the InChIKey of N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide?
The InChIKey is UVDVGQMTBRHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-14-9-20-21(10-15(14)2)30-22(12-27-24(30)23(29-20)26-11-19(32)13-31)16-3-5-17(6-4-16)25(33)28-18-7-8-18/h3-6,9-10,12,18-19,31-32H,7-8,11,13H2,1-2H3,(H,26,29)(H,28,33).
What are the key properties of N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide?
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide is sourced from PubChem (CID 68761182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).