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

C23H15ClN2O2 — CID 3131553

IUPAC6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
SMILESO=C(C=Cc1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H15ClN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28)
InChIKeyKSDWHCKHPLWNBX-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.14
Rot. Bonds4

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

6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one (PubChem CID 3131553) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
PubChem CID3131553
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
SMILESO=C(C=Cc1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H15ClN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28)
InChIKeyKSDWHCKHPLWNBX-UHFFFAOYSA-N
XLogP5.14
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.14
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 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one (CID 3131553) is 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one is O=C(C=Cc1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one?
The InChIKey is KSDWHCKHPLWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28).
What are the key properties of 6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one has a molecular weight of 386.84 g/mol, XLogP of 5.14, 4 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-2-ylprop-2-enoyl)-1H-quinolin-2-one is sourced from PubChem (CID 3131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).