2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

C16H12Br2N2 — CID 153274804

IUPAC2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(C=C3C=C(Br)C=CC31)N=C1C=CC(Br)=CC12
InChIInChI=1S/C16H12Br2N2/c1-20-15-5-3-10(17)6-9(15)7-14-16(20)12-8-11(18)2-4-13(12)19-14/h2-8,12,15H,1H3
InChIKeyZJFNBWBYYKOCOZ-UHFFFAOYSA-N
MW392.09 g/mol
LogP4.21
Rot. Bonds

About 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (PubChem CID 153274804) has the molecular formula C16H12Br2N2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.

Molecular Properties

Compound Name2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
PubChem CID153274804
Molecular FormulaC16H12Br2N2
Molecular Weight392.09 g/mol
Exact Mass389.94
IUPAC Name2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(C=C3C=C(Br)C=CC31)N=C1C=CC(Br)=CC12
InChIInChI=1S/C16H12Br2N2/c1-20-15-5-3-10(17)6-9(15)7-14-16(20)12-8-11(18)2-4-13(12)19-14/h2-8,12,15H,1H3
InChIKeyZJFNBWBYYKOCOZ-UHFFFAOYSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-Chloro-7-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148240421
7-Fluoro-11-iodo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148240422
9-Fluoro-11-iodo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148241285
11-Chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743871
11-Chloro-8-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743877
11-Chloro-9-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743879
11-Chloro-2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152758493
2-Fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152758496
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline;hydrochloride
CID 172019443
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019444
6,7-Difluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019570
6,7-Difluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline;hydrochloride
CID 172019811

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The IUPAC name of 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (CID 153274804) is 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.
What is the SMILES notation for 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The canonical SMILES for 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is CN1C2=C(C=C3C=C(Br)C=CC31)N=C1C=CC(Br)=CC12.
What is the InChIKey of 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The InChIKey is ZJFNBWBYYKOCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2/c1-20-15-5-3-10(17)6-9(15)7-14-16(20)12-8-11(18)2-4-13(12)19-14/h2-8,12,15H,1H3.
What are the key properties of 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline has a molecular weight of 392.09 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is sourced from PubChem (CID 153274804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).