6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one

C23H17ClN2O2 — CID 134257279

IUPAC6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
SMILESO=C(CCc1ccncc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H17ClN2O2/c24-17-7-8-19-18(14-17)21(16-4-2-1-3-5-16)22(23(28)26-19)20(27)9-6-15-10-12-25-13-11-15/h1-5,7-8,10-14H,6,9H2,(H,26,28)
InChIKeyJRDXQUGAADVAAO-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.06
Rot. Bonds5

About 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one

6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one (PubChem CID 134257279) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
PubChem CID134257279
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
SMILESO=C(CCc1ccncc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H17ClN2O2/c24-17-7-8-19-18(14-17)21(16-4-2-1-3-5-16)22(23(28)26-19)20(27)9-6-15-10-12-25-13-11-15/h1-5,7-8,10-14H,6,9H2,(H,26,28)
InChIKeyJRDXQUGAADVAAO-UHFFFAOYSA-N
XLogP5.06
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one (CID 134257279) is 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one is O=C(CCc1ccncc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one?
The InChIKey is JRDXQUGAADVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-17-7-8-19-18(14-17)21(16-4-2-1-3-5-16)22(23(28)26-19)20(27)9-6-15-10-12-25-13-11-15/h1-5,7-8,10-14H,6,9H2,(H,26,28).
What are the key properties of 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one has a molecular weight of 388.85 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one is sourced from PubChem (CID 134257279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).