8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline

C19H15ClN2 — CID 66651790

IUPAC8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1
InChIInChI=1S/C19H15ClN2/c1-11-6-7-17-15(10-11)18(12(2)22-17)13-8-9-21-19-14(13)4-3-5-16(19)20/h3-10,22H,1-2H3
InChIKeyGVGVYZOEICLLLD-UHFFFAOYSA-N
MW306.80 g/mol
LogP5.65
Rot. Bonds1

About 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline

8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline (PubChem CID 66651790) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline
PubChem CID66651790
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC Name8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1
InChIInChI=1S/C19H15ClN2/c1-11-6-7-17-15(10-11)18(12(2)22-17)13-8-9-21-19-14(13)4-3-5-16(19)20/h3-10,22H,1-2H3
InChIKeyGVGVYZOEICLLLD-UHFFFAOYSA-N
XLogP5.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline?
The IUPAC name of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline (CID 66651790) is 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline is Cc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1.
What is the InChIKey of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline?
The InChIKey is GVGVYZOEICLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2/c1-11-6-7-17-15(10-11)18(12(2)22-17)13-8-9-21-19-14(13)4-3-5-16(19)20/h3-10,22H,1-2H3.
What are the key properties of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline?
8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline has a molecular weight of 306.80 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 66651790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).