4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide

C23H23ClN6O — CID 89013596

IUPAC4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCCCNc1nc2cc(N)ccc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C23H23ClN6O/c1-2-9-26-21-22-27-12-20(30(22)19-8-4-14(25)11-18(19)29-21)13-3-7-16(17(24)10-13)23(31)28-15-5-6-15/h3-4,7-8,10-12,15H,2,5-6,9,25H2,1H3,(H,26,29)(H,28,31)
InChIKeyQDJRKDOJSDZQFY-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.50
Rot. Bonds6

About 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide

4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide (PubChem CID 89013596) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
PubChem CID89013596
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCCCNc1nc2cc(N)ccc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C23H23ClN6O/c1-2-9-26-21-22-27-12-20(30(22)19-8-4-14(25)11-18(19)29-21)13-3-7-16(17(24)10-13)23(31)28-15-5-6-15/h3-4,7-8,10-12,15H,2,5-6,9,25H2,1H3,(H,26,29)(H,28,31)
InChIKeyQDJRKDOJSDZQFY-UHFFFAOYSA-N
XLogP4.50
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
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-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703
2-chloro-N-cyclopropyl-4-[6-(furan-3-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383248

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide (CID 89013596) is 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide is CCCNc1nc2cc(N)ccc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.
What is the InChIKey of 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is QDJRKDOJSDZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-2-9-26-21-22-27-12-20(30(22)19-8-4-14(25)11-18(19)29-21)13-3-7-16(17(24)10-13)23(31)28-15-5-6-15/h3-4,7-8,10-12,15H,2,5-6,9,25H2,1H3,(H,26,29)(H,28,31).
What are the key properties of 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide?
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 434.93 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 89013596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).