2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline

C181H160N18O2 — CID 157274836

IUPAC2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline
SMILESCOc1cc2cc(C)c(-n3cccc3)cc2nc1-c1cc(C)cc(C)c1.COc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2nc3cc(-n4cccc4)c(C)cc3cc2C)c1.Cc1ccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)cc1C.Cc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1
InChIInChI=1S/C25H21N3.C24H19N3.C23H22N2O.C23H22N2.2C22H20N2.C21H18N2O.C21H18N2/c1-18-13-19(2)15-21(14-18)22-8-7-20-16-24(27-9-3-4-10-27)25(17-23(20)26-22)28-11-5-6-12-28;1-18-7-6-8-19(15-18)21-10-9-20-16-23(26-11-2-3-12-26)24(17-22(20)25-21)27-13-4-5-14-27;1-15-9-16(2)11-19(10-15)23-22(26-4)13-18-12-17(3)21(14-20(18)24-23)25-7-5-6-8-25;1-15-9-16(2)11-20(10-15)23-18(4)13-19-12-17(3)22(14-21(19)24-23)25-7-5-6-8-25;1-15-6-7-18(12-16(15)2)20-9-8-19-13-17(3)22(14-21(19)23-20)24-10-4-5-11-24;1-15-10-16(2)12-19(11-15)20-7-6-18-13-17(3)22(14-21(18)23-20)24-8-4-5-9-24;1-15-12-17-8-9-19(16-6-5-7-18(13-16)24-2)22-20(17)14-21(15)23-10-3-4-11-23;1-15-6-5-7-17(12-15)19-9-8-18-13-16(2)21(14-20(18)22-19)23-10-3-4-11-23/h3-17H,1-2H3;2-17H,1H3;5-14H,1-4H3;5-14H,1-4H3;2*4-14H,1-3H3;3-14H,1-2H3;3-14H,1-2H3
InChIKeyAYYYDLVWTBRDKF-UHFFFAOYSA-N
MW2619.39 g/mol
LogP45.00
Rot. Bonds20

About 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline

2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline (PubChem CID 157274836) has the molecular formula C181H160N18O2 and a molecular weight of 2619.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline
PubChem CID157274836
Molecular FormulaC181H160N18O2
Molecular Weight2619.39 g/mol
Exact Mass2617.30
IUPAC Name2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline
SMILESCOc1cc2cc(C)c(-n3cccc3)cc2nc1-c1cc(C)cc(C)c1.COc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2nc3cc(-n4cccc4)c(C)cc3cc2C)c1.Cc1ccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)cc1C.Cc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1
InChIInChI=1S/C25H21N3.C24H19N3.C23H22N2O.C23H22N2.2C22H20N2.C21H18N2O.C21H18N2/c1-18-13-19(2)15-21(14-18)22-8-7-20-16-24(27-9-3-4-10-27)25(17-23(20)26-22)28-11-5-6-12-28;1-18-7-6-8-19(15-18)21-10-9-20-16-23(26-11-2-3-12-26)24(17-22(20)25-21)27-13-4-5-14-27;1-15-9-16(2)11-19(10-15)23-22(26-4)13-18-12-17(3)21(14-20(18)24-23)25-7-5-6-8-25;1-15-9-16(2)11-20(10-15)23-18(4)13-19-12-17(3)22(14-21(19)24-23)25-7-5-6-8-25;1-15-6-7-18(12-16(15)2)20-9-8-19-13-17(3)22(14-21(19)23-20)24-10-4-5-11-24;1-15-10-16(2)12-19(11-15)20-7-6-18-13-17(3)22(14-21(18)23-20)24-8-4-5-9-24;1-15-12-17-8-9-19(16-6-5-7-18(13-16)24-2)22-20(17)14-21(15)23-10-3-4-11-23;1-15-6-5-7-17(12-15)19-9-8-18-13-16(2)21(14-20(18)22-19)23-10-3-4-11-23/h3-17H,1-2H3;2-17H,1H3;5-14H,1-4H3;5-14H,1-4H3;2*4-14H,1-3H3;3-14H,1-2H3;3-14H,1-2H3
InChIKeyAYYYDLVWTBRDKF-UHFFFAOYSA-N
XLogP45.00
TPSA170.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms201
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.39
LogP ≤ 545.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline (CID 157274836) is 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline is COc1cc2cc(C)c(-n3cccc3)cc2nc1-c1cc(C)cc(C)c1.COc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.Cc1cc(C)cc(-c2nc3cc(-n4cccc4)c(C)cc3cc2C)c1.Cc1ccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)cc1C.Cc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.Cc1cccc(-c2ccc3cc(C)c(-n4cccc4)cc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The InChIKey is AYYYDLVWTBRDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3.C24H19N3.C23H22N2O.C23H22N2.2C22H20N2.C21H18N2O.C21H18N2/c1-18-13-19(2)15-21(14-18)22-8-7-20-16-24(27-9-3-4-10-27)25(17-23(20)26-22)28-11-5-6-12-28;1-18-7-6-8-19(15-18)21-10-9-20-16-23(26-11-2-3-12-26)24(17-22(20)25-21)27-13-4-5-14-27;1-15-9-16(2)11-19(10-15)23-22(26-4)13-18-12-17(3)21(14-20(18)24-23)25-7-5-6-8-25;1-15-9-16(2)11-20(10-15)23-18(4)13-19-12-17(3)22(14-21(19)24-23)25-7-5-6-8-25;1-15-6-7-18(12-16(15)2)20-9-8-19-13-17(3)22(14-21(19)23-20)24-10-4-5-11-24;1-15-10-16(2)12-19(11-15)20-7-6-18-13-17(3)22(14-21(18)23-20)24-8-4-5-9-24;1-15-12-17-8-9-19(16-6-5-7-18(13-16)24-2)22-20(17)14-21(15)23-10-3-4-11-23;1-15-6-5-7-17(12-15)19-9-8-18-13-16(2)21(14-20(18)22-19)23-10-3-4-11-23/h3-17H,1-2H3;2-17H,1H3;5-14H,1-4H3;5-14H,1-4H3;2*4-14H,1-3H3;3-14H,1-2H3;3-14H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline?
2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline has a molecular weight of 2619.39 g/mol, XLogP of 45.00, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3,6-dimethyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6,7-di(pyrrol-1-yl)quinoline;2-(3,5-dimethylphenyl)-3-methoxy-6-methyl-7-pyrrol-1-ylquinoline;2-(3,4-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3,5-dimethylphenyl)-6-methyl-7-pyrrol-1-ylquinoline;2-(3-methoxyphenyl)-6-methyl-7-pyrrol-1-ylquinoline;6-methyl-2-(3-methylphenyl)-7-pyrrol-1-ylquinoline;2-(3-methylphenyl)-6,7-di(pyrrol-1-yl)quinoline is sourced from PubChem (CID 157274836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).