4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline

C17H9Cl3N2 — CID 18729655

IUPAC4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline
SMILESClc1ccc2c(Cl)cc(-c3c[nH]c4cc(Cl)ccc34)nc2c1
InChIInChI=1S/C17H9Cl3N2/c18-9-1-3-11-13(8-21-15(11)5-9)17-7-14(20)12-4-2-10(19)6-16(12)22-17/h1-8,21H
InChIKeyBMJHTTUAKLQFBL-UHFFFAOYSA-N
MW347.63 g/mol
LogP6.34
Rot. Bonds1

About 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline

4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline (PubChem CID 18729655) has the molecular formula C17H9Cl3N2 and a molecular weight of 347.63 g/mol. Its IUPAC name is 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline
PubChem CID18729655
Molecular FormulaC17H9Cl3N2
Molecular Weight347.63 g/mol
Exact Mass345.98
IUPAC Name4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline
SMILESClc1ccc2c(Cl)cc(-c3c[nH]c4cc(Cl)ccc34)nc2c1
InChIInChI=1S/C17H9Cl3N2/c18-9-1-3-11-13(8-21-15(11)5-9)17-7-14(20)12-4-2-10(19)6-16(12)22-17/h1-8,21H
InChIKeyBMJHTTUAKLQFBL-UHFFFAOYSA-N
XLogP6.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;4-chlorocyclopropa[b]indole
CID 174412946
6-chloro-2-(6-chloro-1H-indol-3-yl)-1H-indole
CID 177408697
4,7-dichloro-2-methoxyquinoline
CID 21101818
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
7-chloro-4-(1H-indol-3-yl)-1H-quinolin-2-one
CID 138961466
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477
5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
CID 162750794
5-chloro-3-iodo-1H-indole
CID 2762969
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881
6-chloro-1H-indole-3-carbaldehyde
CID 12614669

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline?
The IUPAC name of 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline (CID 18729655) is 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline?
The canonical SMILES for 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline is Clc1ccc2c(Cl)cc(-c3c[nH]c4cc(Cl)ccc34)nc2c1.
What is the InChIKey of 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline?
The InChIKey is BMJHTTUAKLQFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N2/c18-9-1-3-11-13(8-21-15(11)5-9)17-7-14(20)12-4-2-10(19)6-16(12)22-17/h1-8,21H.
What are the key properties of 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline?
4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline has a molecular weight of 347.63 g/mol, XLogP of 6.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 18729655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).