7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline

C35H21ClF2N4 — CID 123447465

IUPAC7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline
SMILESCc1c(-c2ccc3ccc(-c4c[nH]c5c(F)c(F)ccc45)nc3c2)ccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12
InChIInChI=1S/C35H21ClF2N4/c1-18-22(9-10-23-25(16-39-33(18)23)30-14-8-20-3-2-4-27(36)34(20)42-30)21-6-5-19-7-13-29(41-31(19)15-21)26-17-40-35-24(26)11-12-28(37)32(35)38/h2-17,39-40H,1H3
InChIKeySKMSZWWZGJCVKY-UHFFFAOYSA-N
MW571.03 g/mol
LogP9.99
Rot. Bonds3

About 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline

7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline (PubChem CID 123447465) has the molecular formula C35H21ClF2N4 and a molecular weight of 571.03 g/mol. Its IUPAC name is 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline
PubChem CID123447465
Molecular FormulaC35H21ClF2N4
Molecular Weight571.03 g/mol
Exact Mass570.14
IUPAC Name7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline
SMILESCc1c(-c2ccc3ccc(-c4c[nH]c5c(F)c(F)ccc45)nc3c2)ccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12
InChIInChI=1S/C35H21ClF2N4/c1-18-22(9-10-23-25(16-39-33(18)23)30-14-8-20-3-2-4-27(36)34(20)42-30)21-6-5-19-7-13-29(41-31(19)15-21)26-17-40-35-24(26)11-12-28(37)32(35)38/h2-17,39-40H,1H3
InChIKeySKMSZWWZGJCVKY-UHFFFAOYSA-N
XLogP9.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.03
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline with MolForge

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Related Compounds

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
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
[3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl][(1-methyl-1H-indol-7-yl)methyl]amine
CID 11855081
2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline
CID 118449843
N-[3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl]-N-[(1-methyl-1H-indol-7-yl)methyl]amine
CID 11854313
6-chloro-2-(4-fluoro-1H-indol-3-yl)quinoline
CID 18729692

Frequently Asked Questions

What is the IUPAC name of 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline (CID 123447465) is 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline is Cc1c(-c2ccc3ccc(-c4c[nH]c5c(F)c(F)ccc45)nc3c2)ccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12.
What is the InChIKey of 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline?
The InChIKey is SKMSZWWZGJCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21ClF2N4/c1-18-22(9-10-23-25(16-39-33(18)23)30-14-8-20-3-2-4-27(36)34(20)42-30)21-6-5-19-7-13-29(41-31(19)15-21)26-17-40-35-24(26)11-12-28(37)32(35)38/h2-17,39-40H,1H3.
What are the key properties of 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline?
7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline has a molecular weight of 571.03 g/mol, XLogP of 9.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(8-chloroquinolin-2-yl)-7-methyl-1H-indol-6-yl]-2-(6,7-difluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 123447465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).