5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline

C26H21ClFIN2 — CID 67284548

IUPAC5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline
SMILESCc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C26H21ClFIN2/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31/h4-13H,14H2,1-3H3
InChIKeyYRIQQAHQHCCJPE-UHFFFAOYSA-N
MW542.82 g/mol
LogP8.04
Rot. Bonds2

About 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline

5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline (PubChem CID 67284548) has the molecular formula C26H21ClFIN2 and a molecular weight of 542.82 g/mol. Its IUPAC name is 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline.

Molecular Properties

Compound Name5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline
PubChem CID67284548
Molecular FormulaC26H21ClFIN2
Molecular Weight542.82 g/mol
Exact Mass542.04
IUPAC Name5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline
SMILESCc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C26H21ClFIN2/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31/h4-13H,14H2,1-3H3
InChIKeyYRIQQAHQHCCJPE-UHFFFAOYSA-N
XLogP8.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.82
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
CID 149401907
1-(2-fluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 2816010
3-[2-[4-(3-Chloro-4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10454321
Benzyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4-yl]-propyl-amine
CID 44341664
[8-(4-Chloro-phenyl)-2-methyl-quinolin-4-yl]-dipropyl-amine
CID 44341733
6-Fluoro-4-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 44366398
3-chloro-N,N-diethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline iodide
CID 137647822
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline
CID 162659257
6-Chloro-11-methylindolo[3,2-c]quinoline
CID 90670039
5-chloro-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-2-(2-fluorophenyl)-3-methylquinoline
CID 50938606
1-(4-Chlorophenyl)-8-fluoro-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 380608
1-(2-Methylphenyl)-4-chloro-6-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 15749819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline?
The IUPAC name of 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline (CID 67284548) is 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline.
What is the SMILES notation for 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline?
The canonical SMILES for 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline is Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21.
What is the InChIKey of 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline?
The InChIKey is YRIQQAHQHCCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFIN2/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31/h4-13H,14H2,1-3H3.
What are the key properties of 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline?
5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline has a molecular weight of 542.82 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline is sourced from PubChem (CID 67284548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).