8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride

C16H11Cl2N3 — CID 135146028

IUPAC8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride
SMILESCl.Clc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C16H10ClN3.ClH/c17-14-8-11(7-10-3-1-5-18-15(10)14)13-9-20-16-12(13)4-2-6-19-16;/h1-9H,(H,19,20);1H
InChIKeyNPBUNTQKBSLGMM-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.85
Rot. Bonds1

About 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride

8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride (PubChem CID 135146028) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride
PubChem CID135146028
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride
SMILESCl.Clc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C16H10ClN3.ClH/c17-14-8-11(7-10-3-1-5-18-15(10)14)13-9-20-16-12(13)4-2-6-19-16;/h1-9H,(H,19,20);1H
InChIKeyNPBUNTQKBSLGMM-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride?
The IUPAC name of 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride (CID 135146028) is 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride.
What is the SMILES notation for 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride?
The canonical SMILES for 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride is Cl.Clc1cc(-c2c[nH]c3ncccc23)cc2cccnc12.
What is the InChIKey of 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride?
The InChIKey is NPBUNTQKBSLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3.ClH/c17-14-8-11(7-10-3-1-5-18-15(10)14)13-9-20-16-12(13)4-2-6-19-16;/h1-9H,(H,19,20);1H.
What are the key properties of 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride?
8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride has a molecular weight of 316.19 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline;hydrochloride is sourced from PubChem (CID 135146028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).