2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

C27H20ClN7O — CID 68761298

IUPAC2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESN#Cc1ccc2c(c1)nc(NCc1cccnc1)c1ncc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12
InChIInChI=1S/C27H20ClN7O/c28-21-11-18(4-7-20(21)27(36)33-19-5-6-19)24-15-32-26-25(31-14-17-2-1-9-30-13-17)34-22-10-16(12-29)3-8-23(22)35(24)26/h1-4,7-11,13,15,19H,5-6,14H2,(H,31,34)(H,33,36)
InChIKeyRVMFSLGGXCUVCQ-UHFFFAOYSA-N
MW493.96 g/mol
LogP4.97
Rot. Bonds6

About 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (PubChem CID 68761298) has the molecular formula C27H20ClN7O and a molecular weight of 493.96 g/mol. Its IUPAC name is 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
PubChem CID68761298
Molecular FormulaC27H20ClN7O
Molecular Weight493.96 g/mol
Exact Mass493.14
IUPAC Name2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESN#Cc1ccc2c(c1)nc(NCc1cccnc1)c1ncc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12
InChIInChI=1S/C27H20ClN7O/c28-21-11-18(4-7-20(21)27(36)33-19-5-6-19)24-15-32-26-25(31-14-17-2-1-9-30-13-17)34-22-10-16(12-29)3-8-23(22)35(24)26/h1-4,7-11,13,15,19H,5-6,14H2,(H,31,34)(H,33,36)
InChIKeyRVMFSLGGXCUVCQ-UHFFFAOYSA-N
XLogP4.97
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-[[1-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-7-cyanoimidazo[1,2-a]quinoxalin-4-yl]amino]propyl]carbamate
CID 70331651
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
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-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 160849745
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
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-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 66601669
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (CID 68761298) is 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is N#Cc1ccc2c(c1)nc(NCc1cccnc1)c1ncc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12.
What is the InChIKey of 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The InChIKey is RVMFSLGGXCUVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN7O/c28-21-11-18(4-7-20(21)27(36)33-19-5-6-19)24-15-32-26-25(31-14-17-2-1-9-30-13-17)34-22-10-16(12-29)3-8-23(22)35(24)26/h1-4,7-11,13,15,19H,5-6,14H2,(H,31,34)(H,33,36).
What are the key properties of 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide has a molecular weight of 493.96 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 68761298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).