3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline

C19H17N3 — CID 67501721

IUPAC3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
SMILESCCCc1c[nH]c2nccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C19H17N3/c1-2-5-14-11-22-19-18(14)16(8-9-20-19)15-10-13-6-3-4-7-17(13)21-12-15/h3-4,6-12H,2,5H2,1H3,(H,20,22)
InChIKeyHLGJZDKZQKWMRZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.73
Rot. Bonds3

About 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline

3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline (PubChem CID 67501721) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline.

Molecular Properties

Compound Name3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
PubChem CID67501721
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
SMILESCCCc1c[nH]c2nccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C19H17N3/c1-2-5-14-11-22-19-18(14)16(8-9-20-19)15-10-13-6-3-4-7-17(13)21-12-15/h3-4,6-12H,2,5H2,1H3,(H,20,22)
InChIKeyHLGJZDKZQKWMRZ-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline?
The IUPAC name of 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline (CID 67501721) is 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline.
What is the SMILES notation for 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline?
The canonical SMILES for 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline is CCCc1c[nH]c2nccc(-c3cnc4ccccc4c3)c12.
What is the InChIKey of 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline?
The InChIKey is HLGJZDKZQKWMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-2-5-14-11-22-19-18(14)16(8-9-20-19)15-10-13-6-3-4-7-17(13)21-12-15/h3-4,6-12H,2,5H2,1H3,(H,20,22).
What are the key properties of 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline?
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline has a molecular weight of 287.37 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline is sourced from PubChem (CID 67501721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).