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

C17H13N3O — CID 135145742

IUPAC8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESCOc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C17H13N3O/c1-21-15-9-12(8-11-4-2-6-18-16(11)15)14-10-20-17-13(14)5-3-7-19-17/h2-10H,1H3,(H,19,20)
InChIKeySYCSBDPYAXPTKW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.79
Rot. Bonds2

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

8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (PubChem CID 135145742) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
PubChem CID135145742
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESCOc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C17H13N3O/c1-21-15-9-12(8-11-4-2-6-18-16(11)15)14-10-20-17-13(14)5-3-7-19-17/h2-10H,1H3,(H,19,20)
InChIKeySYCSBDPYAXPTKW-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The IUPAC name of 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (CID 135145742) is 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The canonical SMILES for 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is COc1cc(-c2c[nH]c3ncccc23)cc2cccnc12.
What is the InChIKey of 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The InChIKey is SYCSBDPYAXPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-21-15-9-12(8-11-4-2-6-18-16(11)15)14-10-20-17-13(14)5-3-7-19-17/h2-10H,1H3,(H,19,20).
What are the key properties of 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline has a molecular weight of 275.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is sourced from PubChem (CID 135145742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).