5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline

C48H36I2N2O2 — CID 139091933

IUPAC5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1.COc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1
InChIInChI=1S/2C24H18INO/c2*1-15-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)23(25)22(24(15)26)16-11-13-17(27-2)14-12-16/h2*3-14H,1-2H3
InChIKeyRSGAZSVQPBQHTQ-UHFFFAOYSA-N
MW926.64 g/mol
LogP13.67
Rot. Bonds4

About 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline

5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline (PubChem CID 139091933) has the molecular formula C48H36I2N2O2 and a molecular weight of 926.64 g/mol. Its IUPAC name is 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline.

Molecular Properties

Compound Name5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
PubChem CID139091933
Molecular FormulaC48H36I2N2O2
Molecular Weight926.64 g/mol
Exact Mass926.09
IUPAC Name5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1.COc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1
InChIInChI=1S/2C24H18INO/c2*1-15-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)23(25)22(24(15)26)16-11-13-17(27-2)14-12-16/h2*3-14H,1-2H3
InChIKeyRSGAZSVQPBQHTQ-UHFFFAOYSA-N
XLogP13.67
TPSA27.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.64
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline
CID 53386643
5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
CID 56931368
3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline
CID 166447670
3-iodo-4-(4-methoxyphenyl)-9-methylcarbazole
CID 139045597
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
CID 53387757
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline
CID 162409826
12-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331079

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline?
The IUPAC name of 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline (CID 139091933) is 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline.
What is the SMILES notation for 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline?
The canonical SMILES for 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline is COc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1.COc1ccc(-c2c(I)c3ccccc3n3c2c(C)c2ccccc23)cc1.
What is the InChIKey of 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline?
The InChIKey is RSGAZSVQPBQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18INO/c2*1-15-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)23(25)22(24(15)26)16-11-13-17(27-2)14-12-16/h2*3-14H,1-2H3.
What are the key properties of 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline?
5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline has a molecular weight of 926.64 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline is sourced from PubChem (CID 139091933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).