2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine

C113H106ClFN26O — CID 158246822

IUPAC2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESC=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(F)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3C#N)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C23H20N6.C23H23N5O.C23H23N5.C22H20ClN5.C22H20FN5/c1-14-5-4-10-29(14)13-20-27-21-18-9-8-15(17-7-3-2-6-16(17)12-24)11-19(18)26-23(25)22(21)28-20;1-14-5-4-10-28(14)13-20-26-21-18-9-8-16(15-6-3-7-17(11-15)29-2)12-19(18)25-23(24)22(21)27-20;1-14-5-3-7-16(11-14)17-8-9-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-10-4-6-15(28)2;1-13-5-4-10-28(13)12-19-26-20-16-9-8-14(15-6-2-3-7-17(15)23)11-18(16)25-22(24)21(20)27-19;1-13-4-3-9-28(13)12-19-26-20-17-8-7-15(14-5-2-6-16(23)10-14)11-18(17)25-22(24)21(20)27-19/h2-3,6-9,11H,1,4-5,10,13H2,(H2,25,26)(H,27,28);3,6-9,11-12H,1,4-5,10,13H2,2H3,(H2,24,25)(H,26,27);3,5,7-9,11-12H,2,4,6,10,13H2,1H3,(H2,24,25)(H,26,27);2-3,6-9,11H,1,4-5,10,12H2,(H2,24,25)(H,26,27);2,5-8,10-11H,1,3-4,9,12H2,(H2,24,25)(H,26,27)
InChIKeyGGFIDDRLGUNSJH-UHFFFAOYSA-N
MW1898.72 g/mol
LogP23.33
Rot. Bonds16

About 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine

2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 158246822) has the molecular formula C113H106ClFN26O and a molecular weight of 1898.72 g/mol. Its IUPAC name is 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID158246822
Molecular FormulaC113H106ClFN26O
Molecular Weight1898.72 g/mol
Exact Mass1896.87
IUPAC Name2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESC=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(F)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3C#N)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C23H20N6.C23H23N5O.C23H23N5.C22H20ClN5.C22H20FN5/c1-14-5-4-10-29(14)13-20-27-21-18-9-8-15(17-7-3-2-6-16(17)12-24)11-19(18)26-23(25)22(21)28-20;1-14-5-4-10-28(14)13-20-26-21-18-9-8-16(15-6-3-7-17(11-15)29-2)12-19(18)25-23(24)22(21)27-20;1-14-5-3-7-16(11-14)17-8-9-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-10-4-6-15(28)2;1-13-5-4-10-28(13)12-19-26-20-16-9-8-14(15-6-2-3-7-17(15)23)11-18(16)25-22(24)21(20)27-19;1-13-4-3-9-28(13)12-19-26-20-17-8-7-15(14-5-2-6-16(23)10-14)11-18(17)25-22(24)21(20)27-19/h2-3,6-9,11H,1,4-5,10,13H2,(H2,25,26)(H,27,28);3,6-9,11-12H,1,4-5,10,13H2,2H3,(H2,24,25)(H,26,27);3,5,7-9,11-12H,2,4,6,10,13H2,1H3,(H2,24,25)(H,26,27);2-3,6-9,11H,1,4-5,10,12H2,(H2,24,25)(H,26,27);2,5-8,10-11H,1,3-4,9,12H2,(H2,24,25)(H,26,27)
InChIKeyGGFIDDRLGUNSJH-UHFFFAOYSA-N
XLogP23.33
TPSA387.17 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.72
LogP ≤ 523.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 158246822) is 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine is C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(F)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3C#N)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccccc3Cl)ccc12.
What is the InChIKey of 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is GGFIDDRLGUNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6.C23H23N5O.C23H23N5.C22H20ClN5.C22H20FN5/c1-14-5-4-10-29(14)13-20-27-21-18-9-8-15(17-7-3-2-6-16(17)12-24)11-19(18)26-23(25)22(21)28-20;1-14-5-4-10-28(14)13-20-26-21-18-9-8-16(15-6-3-7-17(11-15)29-2)12-19(18)25-23(24)22(21)27-20;1-14-5-3-7-16(11-14)17-8-9-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-10-4-6-15(28)2;1-13-5-4-10-28(13)12-19-26-20-16-9-8-14(15-6-2-3-7-17(15)23)11-18(16)25-22(24)21(20)27-19;1-13-4-3-9-28(13)12-19-26-20-17-8-7-15(14-5-2-6-16(23)10-14)11-18(17)25-22(24)21(20)27-19/h2-3,6-9,11H,1,4-5,10,13H2,(H2,25,26)(H,27,28);3,6-9,11-12H,1,4-5,10,13H2,2H3,(H2,24,25)(H,26,27);3,5,7-9,11-12H,2,4,6,10,13H2,1H3,(H2,24,25)(H,26,27);2-3,6-9,11H,1,4-5,10,12H2,(H2,24,25)(H,26,27);2,5-8,10-11H,1,3-4,9,12H2,(H2,24,25)(H,26,27).
What are the key properties of 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 1898.72 g/mol, XLogP of 23.33, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158246822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).