2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline

C35H23BrN4 — CID 123783730

IUPAC2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline
SMILESCc1cc(-c2c[nH]c3cc(-c4ccc5cc(-c6c[nH]c7c(Br)cccc67)cnc5c4)ccc23)nc2ccccc12
InChIInChI=1S/C35H23BrN4/c1-20-13-34(40-31-8-3-2-5-25(20)31)29-19-38-33-16-22(11-12-26(29)33)21-9-10-23-14-24(17-37-32(23)15-21)28-18-39-35-27(28)6-4-7-30(35)36/h2-19,38-39H,1H3
InChIKeyGUSVVGSHPLCQNH-UHFFFAOYSA-N
MW579.50 g/mol
LogP9.82
Rot. Bonds3

About 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline

2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline (PubChem CID 123783730) has the molecular formula C35H23BrN4 and a molecular weight of 579.50 g/mol. Its IUPAC name is 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline
PubChem CID123783730
Molecular FormulaC35H23BrN4
Molecular Weight579.50 g/mol
Exact Mass578.11
IUPAC Name2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline
SMILESCc1cc(-c2c[nH]c3cc(-c4ccc5cc(-c6c[nH]c7c(Br)cccc67)cnc5c4)ccc23)nc2ccccc12
InChIInChI=1S/C35H23BrN4/c1-20-13-34(40-31-8-3-2-5-25(20)31)29-19-38-33-16-22(11-12-26(29)33)21-9-10-23-14-24(17-37-32(23)15-21)28-18-39-35-27(28)6-4-7-30(35)36/h2-19,38-39H,1H3
InChIKeyGUSVVGSHPLCQNH-UHFFFAOYSA-N
XLogP9.82
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.50
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline with MolForge

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Related Compounds

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CID 97080
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8-[4-[4-(5-bromo-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145961968
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
CID 14467479
5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 44556677
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449035
18-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783702
18-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;hydrochloride
CID 14783703
N-(1H-indol-5-yl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride
CID 44532202
5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734840
5-bromo-3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734842

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline?
The IUPAC name of 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline (CID 123783730) is 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline.
What is the SMILES notation for 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline?
The canonical SMILES for 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline is Cc1cc(-c2c[nH]c3cc(-c4ccc5cc(-c6c[nH]c7c(Br)cccc67)cnc5c4)ccc23)nc2ccccc12.
What is the InChIKey of 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline?
The InChIKey is GUSVVGSHPLCQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrN4/c1-20-13-34(40-31-8-3-2-5-25(20)31)29-19-38-33-16-22(11-12-26(29)33)21-9-10-23-14-24(17-37-32(23)15-21)28-18-39-35-27(28)6-4-7-30(35)36/h2-19,38-39H,1H3.
What are the key properties of 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline?
2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline has a molecular weight of 579.50 g/mol, XLogP of 9.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(7-bromo-1H-indol-3-yl)quinolin-7-yl]-1H-indol-3-yl]-4-methylquinoline is sourced from PubChem (CID 123783730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).