2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline

C109H95FN12 — CID 158626232

IUPAC2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline
SMILESC1=C(c2ccncc2)N=C(CCc2ccc3ccccc3n2)C1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1F.Cc1ccccc1C1=CCC(CCc2ccc3ccccc3n2)=N1.Cn1c(CCc2ccc3ccccc3n2)nc2c3ccccc3ccc21
InChIInChI=1S/C23H19N3.C22H19FN2.2C22H20N2.C20H17N3/c1-26-21-14-11-16-6-2-4-8-19(16)23(21)25-22(26)15-13-18-12-10-17-7-3-5-9-20(17)24-18;1-15-5-4-7-19(22(15)23)21-14-13-18(25-21)12-11-17-10-9-16-6-2-3-8-20(16)24-17;1-16-6-2-4-8-20(16)22-15-14-19(24-22)13-12-18-11-10-17-7-3-5-9-21(17)23-18;1-16-5-4-7-18(15-16)22-14-13-20(24-22)12-11-19-10-9-17-6-2-3-8-21(17)23-19;1-2-4-19-15(3-1)5-6-17(22-19)7-8-18-9-10-20(23-18)16-11-13-21-14-12-16/h2-12,14H,13,15H2,1H3;2-10,14H,11-13H2,1H3;2-11,15H,12-14H2,1H3;2-10,14-15H,11-13H2,1H3;1-6,10-14H,7-9H2
InChIKeyHYPVDARONPDIAV-UHFFFAOYSA-N
MW1592.04 g/mol
LogP25.73
Rot. Bonds19

About 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline

2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline (PubChem CID 158626232) has the molecular formula C109H95FN12 and a molecular weight of 1592.04 g/mol. Its IUPAC name is 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline
PubChem CID158626232
Molecular FormulaC109H95FN12
Molecular Weight1592.04 g/mol
Exact Mass1590.78
IUPAC Name2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline
SMILESC1=C(c2ccncc2)N=C(CCc2ccc3ccccc3n2)C1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1F.Cc1ccccc1C1=CCC(CCc2ccc3ccccc3n2)=N1.Cn1c(CCc2ccc3ccccc3n2)nc2c3ccccc3ccc21
InChIInChI=1S/C23H19N3.C22H19FN2.2C22H20N2.C20H17N3/c1-26-21-14-11-16-6-2-4-8-19(16)23(21)25-22(26)15-13-18-12-10-17-7-3-5-9-20(17)24-18;1-15-5-4-7-19(22(15)23)21-14-13-18(25-21)12-11-17-10-9-16-6-2-3-8-20(16)24-17;1-16-6-2-4-8-20(16)22-15-14-19(24-22)13-12-18-11-10-17-7-3-5-9-21(17)23-18;1-16-5-4-7-18(15-16)22-14-13-20(24-22)12-11-19-10-9-17-6-2-3-8-21(17)23-19;1-2-4-19-15(3-1)5-6-17(22-19)7-8-18-9-10-20(23-18)16-11-13-21-14-12-16/h2-12,14H,13,15H2,1H3;2-10,14H,11-13H2,1H3;2-11,15H,12-14H2,1H3;2-10,14-15H,11-13H2,1H3;1-6,10-14H,7-9H2
InChIKeyHYPVDARONPDIAV-UHFFFAOYSA-N
XLogP25.73
TPSA144.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.04
LogP ≤ 525.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline with MolForge

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Related Compounds

6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
CID 123709118
3,4-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3,5-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;methane;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-1,10-phenanthroline
CID 158663492
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
3,5-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;1-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3-methyl-2-(2-quinolin-2-ylethyl)imidazo[4,5-h]quinoline
CID 158650251
2-[2-(3-methylphenyl)ethyl]quinoline
CID 71620221
3-methyl-2-[2-(4-methylquinazolin-2-yl)ethyl]-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-[2-(4-methylquinazolin-2-yl)ethyl]imidazo[4,5-f]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]quinazoline;2-[(E)-2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]quinazoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinazoline
CID 159651503
3,3-difluoro-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)isoindol-1-one
CID 71149559
2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
CID 70098732
2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;2-[2-(5,8-dimethylquinolin-2-yl)ethyl]-3H-pyrrolo[2,3-f]quinoline;3-methyl-2-[2-(8-methyl-1,5-naphthyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine;3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]benzo[e]benzimidazole
CID 158388231
4-(3-methylphenyl)quinoline
CID 146587179
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline (CID 158626232) is 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline is C1=C(c2ccncc2)N=C(CCc2ccc3ccccc3n2)C1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1.Cc1cccc(C2=CCC(CCc3ccc4ccccc4n3)=N2)c1F.Cc1ccccc1C1=CCC(CCc2ccc3ccccc3n2)=N1.Cn1c(CCc2ccc3ccccc3n2)nc2c3ccccc3ccc21.
What is the InChIKey of 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline?
The InChIKey is HYPVDARONPDIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3.C22H19FN2.2C22H20N2.C20H17N3/c1-26-21-14-11-16-6-2-4-8-19(16)23(21)25-22(26)15-13-18-12-10-17-7-3-5-9-20(17)24-18;1-15-5-4-7-19(22(15)23)21-14-13-18(25-21)12-11-17-10-9-16-6-2-3-8-20(16)24-17;1-16-6-2-4-8-20(16)22-15-14-19(24-22)13-12-18-11-10-17-7-3-5-9-21(17)23-18;1-16-5-4-7-18(15-16)22-14-13-20(24-22)12-11-19-10-9-17-6-2-3-8-21(17)23-19;1-2-4-19-15(3-1)5-6-17(22-19)7-8-18-9-10-20(23-18)16-11-13-21-14-12-16/h2-12,14H,13,15H2,1H3;2-10,14H,11-13H2,1H3;2-11,15H,12-14H2,1H3;2-10,14-15H,11-13H2,1H3;1-6,10-14H,7-9H2.
What are the key properties of 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline?
2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline has a molecular weight of 1592.04 g/mol, XLogP of 25.73, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline is sourced from PubChem (CID 158626232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).