4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

C73H57Cl2F6N19O4 — CID 87068896

IUPAC4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4ccccn4)nc4cc(F)c(F)cc4n23)cc1.NC(=O)CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(F)c(F)cc4n23)cc1Cl
InChIInChI=1S/C26H19ClF2N6O.C24H19F2N7O.C23H19ClF2N6O2/c27-18-8-15(3-6-17(18)26(36)33-16-4-5-16)23-13-32-25-24(31-12-14-2-1-7-30-11-14)34-21-9-19(28)20(29)10-22(21)35(23)25;1-27-24(34)31-15-7-5-14(6-8-15)21-13-30-23-22(29-12-16-4-2-3-9-28-16)32-19-10-17(25)18(26)11-20(19)33(21)23;24-14-7-11(1-4-13(14)23(34)30-12-2-3-12)19-10-29-22-21(28-6-5-20(27)33)31-17-8-15(25)16(26)9-18(17)32(19)22/h1-3,6-11,13,16H,4-5,12H2,(H,31,34)(H,33,36);2-11,13H,12H2,1H3,(H,29,32)(H2,27,31,34);1,4,7-10,12H,2-3,5-6H2,(H2,27,33)(H,28,31)(H,30,34)
InChIKeyMTVFLFGQFXKNEO-UHFFFAOYSA-N
MW1449.28 g/mol
LogP13.63
Rot. Bonds18

About 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea

4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (PubChem CID 87068896) has the molecular formula C73H57Cl2F6N19O4 and a molecular weight of 1449.28 g/mol. Its IUPAC name is 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
PubChem CID87068896
Molecular FormulaC73H57Cl2F6N19O4
Molecular Weight1449.28 g/mol
Exact Mass1447.41
IUPAC Name4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2cnc3c(NCc4ccccn4)nc4cc(F)c(F)cc4n23)cc1.NC(=O)CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(F)c(F)cc4n23)cc1Cl
InChIInChI=1S/C26H19ClF2N6O.C24H19F2N7O.C23H19ClF2N6O2/c27-18-8-15(3-6-17(18)26(36)33-16-4-5-16)23-13-32-25-24(31-12-14-2-1-7-30-11-14)34-21-9-19(28)20(29)10-22(21)35(23)25;1-27-24(34)31-15-7-5-14(6-8-15)21-13-30-23-22(29-12-16-4-2-3-9-28-16)32-19-10-17(25)18(26)11-20(19)33(21)23;24-14-7-11(1-4-13(14)23(34)30-12-2-3-12)19-10-29-22-21(28-6-5-20(27)33)31-17-8-15(25)16(26)9-18(17)32(19)22/h1-3,6-11,13,16H,4-5,12H2,(H,31,34)(H,33,36);2-11,13H,12H2,1H3,(H,29,32)(H2,27,31,34);1,4,7-10,12H,2-3,5-6H2,(H2,27,33)(H,28,31)(H,30,34)
InChIKeyMTVFLFGQFXKNEO-UHFFFAOYSA-N
XLogP13.63
TPSA294.86 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.28
LogP ≤ 513.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The IUPAC name of 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea (CID 87068896) is 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea.
What is the SMILES notation for 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The canonical SMILES for 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2cnc3c(NCc4ccccn4)nc4cc(F)c(F)cc4n23)cc1.NC(=O)CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(F)c(F)cc4n23)cc1Cl.
What is the InChIKey of 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
The InChIKey is MTVFLFGQFXKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N6O.C24H19F2N7O.C23H19ClF2N6O2/c27-18-8-15(3-6-17(18)26(36)33-16-4-5-16)23-13-32-25-24(31-12-14-2-1-7-30-11-14)34-21-9-19(28)20(29)10-22(21)35(23)25;1-27-24(34)31-15-7-5-14(6-8-15)21-13-30-23-22(29-12-16-4-2-3-9-28-16)32-19-10-17(25)18(26)11-20(19)33(21)23;24-14-7-11(1-4-13(14)23(34)30-12-2-3-12)19-10-29-22-21(28-6-5-20(27)33)31-17-8-15(25)16(26)9-18(17)32(19)22/h1-3,6-11,13,16H,4-5,12H2,(H,31,34)(H,33,36);2-11,13H,12H2,1H3,(H,29,32)(H2,27,31,34);1,4,7-10,12H,2-3,5-6H2,(H2,27,33)(H,28,31)(H,30,34).
What are the key properties of 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea?
4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea has a molecular weight of 1449.28 g/mol, XLogP of 13.63, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-amino-3-oxopropyl)amino]-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[7,8-difluoro-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[7,8-difluoro-4-(pyridin-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea is sourced from PubChem (CID 87068896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).