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

C19H16Cl2N2 — CID 131729351

IUPAC8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1.Cl
InChIInChI=1S/C19H15ClN2.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
InChIKeyBRRMBWKTNRCABE-UHFFFAOYSA-N
MW343.26 g/mol
LogP6.08
Rot. Bonds1

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

8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride (PubChem CID 131729351) has the molecular formula C19H16Cl2N2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride
PubChem CID131729351
Molecular FormulaC19H16Cl2N2
Molecular Weight343.26 g/mol
Exact Mass342.07
IUPAC Name8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride
SMILESCc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1.Cl
InChIInChI=1S/C19H15ClN2.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
InChIKeyBRRMBWKTNRCABE-UHFFFAOYSA-N
XLogP6.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 56.08
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;hydrochloride?
The IUPAC name of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride (CID 131729351) is 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride.
What is the SMILES notation for 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride?
The canonical SMILES for 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride is Cc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1.Cl.
What is the InChIKey of 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride?
The InChIKey is BRRMBWKTNRCABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2.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 8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride?
8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride has a molecular weight of 343.26 g/mol, XLogP of 6.08, 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;hydrochloride is sourced from PubChem (CID 131729351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).