4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole

C50H43ClF2I2N6 — CID 159649066

IUPAC4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C25H21FIN3.C15H10ClFN2.C10H12IN/c1-15-23(20-6-4-5-11-28-20)29-21-12-16(26)7-9-18(21)24(15)30-14-25(2,3)19-10-8-17(27)13-22(19)30;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3
InChIKeyMRIIHHLOUDHUJF-UHFFFAOYSA-N
MW1055.19 g/mol
LogP14.17
Rot. Bonds3

About 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole

4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole (PubChem CID 159649066) has the molecular formula C50H43ClF2I2N6 and a molecular weight of 1055.19 g/mol. Its IUPAC name is 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
PubChem CID159649066
Molecular FormulaC50H43ClF2I2N6
Molecular Weight1055.19 g/mol
Exact Mass1054.13
IUPAC Name4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C25H21FIN3.C15H10ClFN2.C10H12IN/c1-15-23(20-6-4-5-11-28-20)29-21-12-16(26)7-9-18(21)24(15)30-14-25(2,3)19-10-8-17(27)13-22(19)30;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3
InChIKeyMRIIHHLOUDHUJF-UHFFFAOYSA-N
XLogP14.17
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.19
LogP ≤ 514.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole with MolForge

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Related Compounds

N-(3-(4-(3-(bis(quinolin-4-ylmethyl)amino)propyl)piperazin-1-yl)propyl)-7-chloroquinolin-4-amine
CID 10985114
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134130842
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine;hydrochloride
CID 134131024
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]pentane-1,5-diamine;hydrochloride
CID 134131323
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]hexane-1,6-diamine;hydrochloride
CID 134131433
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]pentane-1,5-diamine;hydrochloride
CID 134143282
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine;hydrochloride
CID 134130879
5-Cyclohexyl-8-[2-[2-(5-cyclohexyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-4-fluorophenyl]-5-fluorophenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 67988511
4-[3-[2-[5-(4-Chloro-5,7-difluoro-3-methylquinolin-2-yl)-3-pyridinyl]ethyl]-3-methyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl]morpholine
CID 91095247
2-(5-Chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline
CID 123206899
4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 126544188
N-[2-[(E)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]ethenyl]-6-fluoroquinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 141327085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole (CID 159649066) is 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(I)cc21.
What is the InChIKey of 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is MRIIHHLOUDHUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FIN3.C15H10ClFN2.C10H12IN/c1-15-23(20-6-4-5-11-28-20)29-21-12-16(26)7-9-18(21)24(15)30-14-25(2,3)19-10-8-17(27)13-22(19)30;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3.
What are the key properties of 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 1055.19 g/mol, XLogP of 14.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 159649066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).