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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine

C109H107N25OS2 — CID 159612534

IUPAC7-(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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESC=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(C)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12
InChIInChI=1S/C23H23N5O.2C23H23N5.2C20H19N5S/c1-14-5-4-10-28(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;1-14-5-7-16(8-6-14)17-9-10-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-11-3-4-15(28)2;1-12-4-2-8-25(12)11-17-23-18-14-7-6-13(16-5-3-9-26-16)10-15(14)22-20(21)19(18)24-17;1-12-3-2-7-25(12)10-17-23-18-15-5-4-13(14-6-8-26-11-14)9-16(15)22-20(21)19(18)24-17/h3,6-9,11-12H,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);5-10,12H,2-4,11,13H2,1H3,(H2,24,25)(H,26,27);3,5-7,9-10H,1-2,4,8,11H2,(H2,21,22)(H,23,24);4-6,8-9,11H,1-3,7,10H2,(H2,21,22)(H,23,24)
InChIKeyMMWMGKORJZNQJN-UHFFFAOYSA-N
MW1847.36 g/mol
LogP23.10
Rot. Bonds16

About 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 159612534) has the molecular formula C109H107N25OS2 and a molecular weight of 1847.36 g/mol. Its IUPAC name is 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID159612534
Molecular FormulaC109H107N25OS2
Molecular Weight1847.36 g/mol
Exact Mass1845.85
IUPAC Name7-(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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESC=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(C)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12
InChIInChI=1S/C23H23N5O.2C23H23N5.2C20H19N5S/c1-14-5-4-10-28(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;1-14-5-7-16(8-6-14)17-9-10-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-11-3-4-15(28)2;1-12-4-2-8-25(12)11-17-23-18-14-7-6-13(16-5-3-9-26-16)10-15(14)22-20(21)19(18)24-17;1-12-3-2-7-25(12)10-17-23-18-15-5-4-13(14-6-8-26-11-14)9-16(15)22-20(21)19(18)24-17/h3,6-9,11-12H,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);5-10,12H,2-4,11,13H2,1H3,(H2,24,25)(H,26,27);3,5-7,9-10H,1-2,4,8,11H2,(H2,21,22)(H,23,24);4-6,8-9,11H,1-3,7,10H2,(H2,21,22)(H,23,24)
InChIKeyMMWMGKORJZNQJN-UHFFFAOYSA-N
XLogP23.10
TPSA363.38 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.36
LogP ≤ 523.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

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

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Frequently Asked Questions

What is the IUPAC name of 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine (CID 159612534) is 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine is C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(C)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(C)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12.
What is the InChIKey of 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is MMWMGKORJZNQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.2C23H23N5.2C20H19N5S/c1-14-5-4-10-28(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;1-14-5-7-16(8-6-14)17-9-10-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-11-3-4-15(28)2;1-12-4-2-8-25(12)11-17-23-18-14-7-6-13(16-5-3-9-26-16)10-15(14)22-20(21)19(18)24-17;1-12-3-2-7-25(12)10-17-23-18-15-5-4-13(14-6-8-26-11-14)9-16(15)22-20(21)19(18)24-17/h3,6-9,11-12H,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);5-10,12H,2-4,11,13H2,1H3,(H2,24,25)(H,26,27);3,5-7,9-10H,1-2,4,8,11H2,(H2,21,22)(H,23,24);4-6,8-9,11H,1-3,7,10H2,(H2,21,22)(H,23,24).
What are the key properties of 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 1847.36 g/mol, XLogP of 23.10, 16 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159612534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).