2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one

C14H9ClN2O — CID 77230218

IUPAC2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccnc(Cl)c2)[nH]c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-14-7-9(5-6-16-14)12-8-13(18)10-3-1-2-4-11(10)17-12/h1-8H,(H,17,18)
InChIKeyOEGMTFRNUKJZNO-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.24
Rot. Bonds1

About 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one

2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one (PubChem CID 77230218) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
PubChem CID77230218
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccnc(Cl)c2)[nH]c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-14-7-9(5-6-16-14)12-8-13(18)10-3-1-2-4-11(10)17-12/h1-8H,(H,17,18)
InChIKeyOEGMTFRNUKJZNO-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one (CID 77230218) is 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one is O=c1cc(-c2ccnc(Cl)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one?
The InChIKey is OEGMTFRNUKJZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-14-7-9(5-6-16-14)12-8-13(18)10-3-1-2-4-11(10)17-12/h1-8H,(H,17,18).
What are the key properties of 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one?
2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one has a molecular weight of 256.69 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one is sourced from PubChem (CID 77230218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).