1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

C26H25N7O — CID 66601669

IUPAC1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(C)c(C)cc4n23)cc1
InChIInChI=1S/C26H25N7O/c1-16-11-21-22(12-17(16)2)33-23(19-6-8-20(9-7-19)31-26(34)27-3)15-30-25(33)24(32-21)29-14-18-5-4-10-28-13-18/h4-13,15H,14H2,1-3H3,(H,29,32)(H2,27,31,34)
InChIKeyPSJUQLGGXBRODH-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.92
Rot. Bonds5

About 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (PubChem CID 66601669) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
PubChem CID66601669
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(C)c(C)cc4n23)cc1
InChIInChI=1S/C26H25N7O/c1-16-11-21-22(12-17(16)2)33-23(19-6-8-20(9-7-19)31-26(34)27-3)15-30-25(33)24(32-21)29-14-18-5-4-10-28-13-18/h4-13,15H,14H2,1-3H3,(H,29,32)(H2,27,31,34)
InChIKeyPSJUQLGGXBRODH-UHFFFAOYSA-N
XLogP4.92
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea with MolForge

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Related Compounds

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
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
CID 58968785
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
N-[4-[3,5-dicyano-2-(ethylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
CID 58968757
1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea
CID 156770236
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-methyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea
CID 10208932

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (CID 66601669) is 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(C)c(C)cc4n23)cc1.
What is the InChIKey of 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The InChIKey is PSJUQLGGXBRODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-16-11-21-22(12-17(16)2)33-23(19-6-8-20(9-7-19)31-26(34)27-3)15-30-25(33)24(32-21)29-14-18-5-4-10-28-13-18/h4-13,15H,14H2,1-3H3,(H,29,32)(H2,27,31,34).
What are the key properties of 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea has a molecular weight of 451.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is sourced from PubChem (CID 66601669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).