3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one

C17H11N3O — CID 54396445

IUPAC3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1ccnc2ccccc12
InChIInChI=1S/C17H11N3O/c21-17-14(13-5-3-8-19-16(13)20-17)10-11-7-9-18-15-6-2-1-4-12(11)15/h1-10H,(H,19,20,21)
InChIKeyVKHNKRXJMJJTAS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.12
Rot. Bonds1

About 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one

3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 54396445) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID54396445
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1ccnc2ccccc12
InChIInChI=1S/C17H11N3O/c21-17-14(13-5-3-8-19-16(13)20-17)10-11-7-9-18-15-6-2-1-4-12(11)15/h1-10H,(H,19,20,21)
InChIKeyVKHNKRXJMJJTAS-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one (CID 54396445) is 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncccc2C1=Cc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VKHNKRXJMJJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c21-17-14(13-5-3-8-19-16(13)20-17)10-11-7-9-18-15-6-2-1-4-12(11)15/h1-10H,(H,19,20,21).
What are the key properties of 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one?
3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 273.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 54396445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).