2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline

C35H22ClFN4 — CID 123420861

IUPAC2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline
SMILESCc1ccc2c(-c3cc(-c4cc(-c5c[nH]c6c(Cl)cccc56)nc5ccccc45)c4ccccc4n3)c[nH]c2c1F
InChIInChI=1S/C35H22ClFN4/c1-19-13-14-23-27(18-39-35(23)33(19)37)32-16-25(21-8-3-5-12-30(21)41-32)24-15-31(40-29-11-4-2-7-20(24)29)26-17-38-34-22(26)9-6-10-28(34)36/h2-18,38-39H,1H3
InChIKeyYSCDBKGFGPMFRO-UHFFFAOYSA-N
MW553.04 g/mol
LogP9.85
Rot. Bonds3

About 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline

2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline (PubChem CID 123420861) has the molecular formula C35H22ClFN4 and a molecular weight of 553.04 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline
PubChem CID123420861
Molecular FormulaC35H22ClFN4
Molecular Weight553.04 g/mol
Exact Mass552.15
IUPAC Name2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline
SMILESCc1ccc2c(-c3cc(-c4cc(-c5c[nH]c6c(Cl)cccc56)nc5ccccc45)c4ccccc4n3)c[nH]c2c1F
InChIInChI=1S/C35H22ClFN4/c1-19-13-14-23-27(18-39-35(23)33(19)37)32-16-25(21-8-3-5-12-30(21)41-32)24-15-31(40-29-11-4-2-7-20(24)29)26-17-38-34-22(26)9-6-10-28(34)36/h2-18,38-39H,1H3
InChIKeyYSCDBKGFGPMFRO-UHFFFAOYSA-N
XLogP9.85
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.04
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
8-[4-[4-(5-chloro-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962581
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
CID 118449718
2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline
CID 118449727
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
CID 118449830
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
8-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449909
2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 118886858
6-chloro-4-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]quinoline
CID 44527008
N-(2-chloro-4-fluorophenyl)-7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44532471
N-(2-chloro-4-fluorophenyl)-7-[3-(piperidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 44532472
6-chloro-2-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578518

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline?
The IUPAC name of 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline (CID 123420861) is 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline.
What is the SMILES notation for 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline?
The canonical SMILES for 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline is Cc1ccc2c(-c3cc(-c4cc(-c5c[nH]c6c(Cl)cccc56)nc5ccccc45)c4ccccc4n3)c[nH]c2c1F.
What is the InChIKey of 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline?
The InChIKey is YSCDBKGFGPMFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22ClFN4/c1-19-13-14-23-27(18-39-35(23)33(19)37)32-16-25(21-8-3-5-12-30(21)41-32)24-15-31(40-29-11-4-2-7-20(24)29)26-17-38-34-22(26)9-6-10-28(34)36/h2-18,38-39H,1H3.
What are the key properties of 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline?
2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline has a molecular weight of 553.04 g/mol, XLogP of 9.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-3-yl)-4-[2-(7-fluoro-6-methyl-1H-indol-3-yl)quinolin-4-yl]quinoline is sourced from PubChem (CID 123420861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).