4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride

C19H16ClFN2 — CID 131729346

IUPAC4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(F)cccc34)c2c1.Cl
InChIInChI=1S/C19H15FN2.ClH/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;1H
InChIKeyRCBZKPYVGPRRGP-UHFFFAOYSA-N
MW326.80 g/mol
LogP5.56
Rot. Bonds1

About 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride

4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride (PubChem CID 131729346) has the molecular formula C19H16ClFN2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride
PubChem CID131729346
Molecular FormulaC19H16ClFN2
Molecular Weight326.80 g/mol
Exact Mass326.10
IUPAC Name4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(F)cccc34)c2c1.Cl
InChIInChI=1S/C19H15FN2.ClH/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;1H
InChIKeyRCBZKPYVGPRRGP-UHFFFAOYSA-N
XLogP5.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride?
The IUPAC name of 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride (CID 131729346) is 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride?
The canonical SMILES for 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride is Cc1ccc2[nH]c(C)c(-c3ccnc4c(F)cccc34)c2c1.Cl.
What is the InChIKey of 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride?
The InChIKey is RCBZKPYVGPRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2.ClH/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;1H.
What are the key properties of 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride?
4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride is sourced from PubChem (CID 131729346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).