2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile

C110H86F2N24O5 — CID 161268947

IUPAC2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
SMILESCc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)cc4)cc3c21.Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)c(C#N)c4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccoc4)cc3c21
InChIInChI=1S/C30H24FN7O.C29H23N7O.C28H23FN6O.C23H16N4O2/c1-18-11-27(37-9-7-34-8-10-37)22(16-33)14-26(18)38-29-23-13-20(19-3-5-24(31)21(12-19)15-32)4-6-25(23)35-17-28(29)36(2)30(38)39;1-17-8-26(35-15-22(32)16-35)21(13-31)11-25(17)36-28-23-10-20(19-5-3-4-18(9-19)12-30)6-7-24(23)33-14-27(28)34(2)29(36)37;1-16-9-25(34-14-21(31)15-34)19(12-30)11-24(16)35-27-22-10-18(17-3-6-20(29)7-4-17)5-8-23(22)32-13-26(27)33(2)28(35)36;1-14-3-4-15(11-24)9-20(14)27-22-18-10-16(17-7-8-29-13-17)5-6-19(18)25-12-21(22)26(2)23(27)28/h3-6,11-14,17,34H,7-10H2,1-2H3;3-11,14,22H,15-16,32H2,1-2H3;3-11,13,21H,14-15,31H2,1-2H3;3-10,12-13H,1-2H3
InChIKeyVDOBTZWYVYKWNA-UHFFFAOYSA-N
MW1862.06 g/mol
LogP16.22
Rot. Bonds11

About 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile

2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile (PubChem CID 161268947) has the molecular formula C110H86F2N24O5 and a molecular weight of 1862.06 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
PubChem CID161268947
Molecular FormulaC110H86F2N24O5
Molecular Weight1862.06 g/mol
Exact Mass1860.72
IUPAC Name2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
SMILESCc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)cc4)cc3c21.Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)c(C#N)c4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccoc4)cc3c21
InChIInChI=1S/C30H24FN7O.C29H23N7O.C28H23FN6O.C23H16N4O2/c1-18-11-27(37-9-7-34-8-10-37)22(16-33)14-26(18)38-29-23-13-20(19-3-5-24(31)21(12-19)15-32)4-6-25(23)35-17-28(29)36(2)30(38)39;1-17-8-26(35-15-22(32)16-35)21(13-31)11-25(17)36-28-23-10-20(19-5-3-4-18(9-19)12-30)6-7-24(23)33-14-27(28)34(2)29(36)37;1-16-9-25(34-14-21(31)15-34)19(12-30)11-24(16)35-27-22-10-18(17-3-6-20(29)7-4-17)5-8-23(22)32-13-26(27)33(2)28(35)36;1-14-3-4-15(11-24)9-20(14)27-22-18-10-16(17-7-8-29-13-17)5-6-19(18)25-12-21(22)26(2)23(27)28/h3-6,11-14,17,34H,7-10H2,1-2H3;3-11,14,22H,15-16,32H2,1-2H3;3-11,13,21H,14-15,31H2,1-2H3;3-10,12-13H,1-2H3
InChIKeyVDOBTZWYVYKWNA-UHFFFAOYSA-N
XLogP16.22
TPSA388.95 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.06
LogP ≤ 516.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile with MolForge

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Related Compounds

2-(4-Acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
CID 157205576

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile (CID 161268947) is 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile is Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)cc4)cc3c21.Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)c(C#N)c4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccoc4)cc3c21.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile?
The InChIKey is VDOBTZWYVYKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O.C29H23N7O.C28H23FN6O.C23H16N4O2/c1-18-11-27(37-9-7-34-8-10-37)22(16-33)14-26(18)38-29-23-13-20(19-3-5-24(31)21(12-19)15-32)4-6-25(23)35-17-28(29)36(2)30(38)39;1-17-8-26(35-15-22(32)16-35)21(13-31)11-25(17)36-28-23-10-20(19-5-3-4-18(9-19)12-30)6-7-24(23)33-14-27(28)34(2)29(36)37;1-16-9-25(34-14-21(31)15-34)19(12-30)11-24(16)35-27-22-10-18(17-3-6-20(29)7-4-17)5-8-23(22)32-13-26(27)33(2)28(35)36;1-14-3-4-15(11-24)9-20(14)27-22-18-10-16(17-7-8-29-13-17)5-6-19(18)25-12-21(22)26(2)23(27)28/h3-6,11-14,17,34H,7-10H2,1-2H3;3-11,14,22H,15-16,32H2,1-2H3;3-11,13,21H,14-15,31H2,1-2H3;3-10,12-13H,1-2H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile?
2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile has a molecular weight of 1862.06 g/mol, XLogP of 16.22, 11 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(3-cyano-4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile is sourced from PubChem (CID 161268947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).