3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile

C122H81Cl3N20O5 — CID 159088457

IUPAC3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCN(C)CC#Cc1ccc2ncc3c(c2c1)n(-c1cccc(C#N)c1)c(=O)n3C.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cc1ccc(C#N)cc1N1C(=O)Cc2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cn1c(=O)n(-c2cccc(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21.N#Cc1cccc(N2C(=O)Cc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C25H17ClN4O.C25H16ClN3O.C25H15N5O.C24H14ClN3O.C23H19N5O/c1-15-3-4-16(13-27)11-22(15)30-24-20-12-18(17-5-8-19(26)9-6-17)7-10-21(20)28-14-23(24)29(2)25(30)31;1-15-2-3-16(13-27)10-23(15)29-24(30)12-19-14-28-22-9-6-18(11-21(22)25(19)29)17-4-7-20(26)8-5-17;1-29-23-15-28-22-9-8-19(18-6-2-4-16(10-18)13-26)12-21(22)24(23)30(25(29)31)20-7-3-5-17(11-20)14-27;25-19-7-4-16(5-8-19)17-6-9-22-21(11-17)24-18(14-27-22)12-23(29)28(24)20-3-1-2-15(10-20)13-26;1-26(2)11-5-7-16-9-10-20-19(13-16)22-21(15-25-20)27(3)23(29)28(22)18-8-4-6-17(12-18)14-24/h3-12,14H,1-2H3;2-11,14H,12H2,1H3;2-12,15H,1H3;1-11,14H,12H2;4,6,8-10,12-13,15H,11H2,1-3H3
InChIKeyKBTGIPRRDMSESQ-UHFFFAOYSA-N
MW2013.48 g/mol
LogP23.93
Rot. Bonds10

About 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile

3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 159088457) has the molecular formula C122H81Cl3N20O5 and a molecular weight of 2013.48 g/mol. Its IUPAC name is 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID159088457
Molecular FormulaC122H81Cl3N20O5
Molecular Weight2013.48 g/mol
Exact Mass2010.58
IUPAC Name3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCN(C)CC#Cc1ccc2ncc3c(c2c1)n(-c1cccc(C#N)c1)c(=O)n3C.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cc1ccc(C#N)cc1N1C(=O)Cc2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cn1c(=O)n(-c2cccc(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21.N#Cc1cccc(N2C(=O)Cc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C25H17ClN4O.C25H16ClN3O.C25H15N5O.C24H14ClN3O.C23H19N5O/c1-15-3-4-16(13-27)11-22(15)30-24-20-12-18(17-5-8-19(26)9-6-17)7-10-21(20)28-14-23(24)29(2)25(30)31;1-15-2-3-16(13-27)10-23(15)29-24(30)12-19-14-28-22-9-6-18(11-21(22)25(19)29)17-4-7-20(26)8-5-17;1-29-23-15-28-22-9-8-19(18-6-2-4-16(10-18)13-26)12-21(22)24(23)30(25(29)31)20-7-3-5-17(11-20)14-27;25-19-7-4-16(5-8-19)17-6-9-22-21(11-17)24-18(14-27-22)12-23(29)28(24)20-3-1-2-15(10-20)13-26;1-26(2)11-5-7-16-9-10-20-19(13-16)22-21(15-25-20)27(3)23(29)28(22)18-8-4-6-17(12-18)14-24/h3-12,14H,1-2H3;2-11,14H,12H2,1H3;2-12,15H,1H3;1-11,14H,12H2;4,6,8-10,12-13,15H,11H2,1-3H3
InChIKeyKBTGIPRRDMSESQ-UHFFFAOYSA-N
XLogP23.93
TPSA331.84 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002013.48
LogP ≤ 523.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 159088457) is 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile is CN(C)CC#Cc1ccc2ncc3c(c2c1)n(-c1cccc(C#N)c1)c(=O)n3C.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cc1ccc(C#N)cc1N1C(=O)Cc2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cn1c(=O)n(-c2cccc(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21.N#Cc1cccc(N2C(=O)Cc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1.
What is the InChIKey of 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is KBTGIPRRDMSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O.C25H16ClN3O.C25H15N5O.C24H14ClN3O.C23H19N5O/c1-15-3-4-16(13-27)11-22(15)30-24-20-12-18(17-5-8-19(26)9-6-17)7-10-21(20)28-14-23(24)29(2)25(30)31;1-15-2-3-16(13-27)10-23(15)29-24(30)12-19-14-28-22-9-6-18(11-21(22)25(19)29)17-4-7-20(26)8-5-17;1-29-23-15-28-22-9-8-19(18-6-2-4-16(10-18)13-26)12-21(22)24(23)30(25(29)31)20-7-3-5-17(11-20)14-27;25-19-7-4-16(5-8-19)17-6-9-22-21(11-17)24-18(14-27-22)12-23(29)28(24)20-3-1-2-15(10-20)13-26;1-26(2)11-5-7-16-9-10-20-19(13-16)22-21(15-25-20)27(3)23(29)28(22)18-8-4-6-17(12-18)14-24/h3-12,14H,1-2H3;2-11,14H,12H2,1H3;2-12,15H,1H3;1-11,14H,12H2;4,6,8-10,12-13,15H,11H2,1-3H3.
What are the key properties of 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 2013.48 g/mol, XLogP of 23.93, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]benzonitrile;3-[8-(4-chlorophenyl)-2-oxo-3H-pyrrolo[3,2-c]quinolin-1-yl]-4-methylbenzonitrile;3-[1-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile;3-[8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 159088457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).