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

C16H10ClN3 — CID 135145539

IUPAC4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESClc1ccnc2ccc(-c3c[nH]c4ncccc34)cc12
InChIInChI=1S/C16H10ClN3/c17-14-5-7-18-15-4-3-10(8-12(14)15)13-9-20-16-11(13)2-1-6-19-16/h1-9H,(H,19,20)
InChIKeyDCEQQTFFVRJVHP-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.43
Rot. Bonds1

About 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline

4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (PubChem CID 135145539) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
PubChem CID135145539
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESClc1ccnc2ccc(-c3c[nH]c4ncccc34)cc12
InChIInChI=1S/C16H10ClN3/c17-14-5-7-18-15-4-3-10(8-12(14)15)13-9-20-16-11(13)2-1-6-19-16/h1-9H,(H,19,20)
InChIKeyDCEQQTFFVRJVHP-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The IUPAC name of 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (CID 135145539) is 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.
What is the SMILES notation for 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The canonical SMILES for 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is Clc1ccnc2ccc(-c3c[nH]c4ncccc34)cc12.
What is the InChIKey of 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The InChIKey is DCEQQTFFVRJVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-14-5-7-18-15-4-3-10(8-12(14)15)13-9-20-16-11(13)2-1-6-19-16/h1-9H,(H,19,20).
What are the key properties of 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline has a molecular weight of 279.73 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is sourced from PubChem (CID 135145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).