5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one

C24H19N3O3 — CID 59843024

IUPAC5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
SMILES[C-]#[N+]c1ccc(-c2ccc(=O)n(CCOc3ccnc4cc(OC)ccc34)c2)cc1
InChIInChI=1S/C24H19N3O3/c1-25-19-6-3-17(4-7-19)18-5-10-24(28)27(16-18)13-14-30-23-11-12-26-22-15-20(29-2)8-9-21(22)23/h3-12,15-16H,13-14H2,2H3
InChIKeyRVUHDSPXHMRNLV-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.70
Rot. Bonds6

About 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one

5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one (PubChem CID 59843024) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one.

Molecular Properties

Compound Name5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
PubChem CID59843024
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
SMILES[C-]#[N+]c1ccc(-c2ccc(=O)n(CCOc3ccnc4cc(OC)ccc34)c2)cc1
InChIInChI=1S/C24H19N3O3/c1-25-19-6-3-17(4-7-19)18-5-10-24(28)27(16-18)13-14-30-23-11-12-26-22-15-20(29-2)8-9-21(22)23/h3-12,15-16H,13-14H2,2H3
InChIKeyRVUHDSPXHMRNLV-UHFFFAOYSA-N
XLogP4.70
TPSA57.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?
The IUPAC name of 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one (CID 59843024) is 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one.
What is the SMILES notation for 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?
The canonical SMILES for 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one is [C-]#[N+]c1ccc(-c2ccc(=O)n(CCOc3ccnc4cc(OC)ccc34)c2)cc1.
What is the InChIKey of 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?
The InChIKey is RVUHDSPXHMRNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-25-19-6-3-17(4-7-19)18-5-10-24(28)27(16-18)13-14-30-23-11-12-26-22-15-20(29-2)8-9-21(22)23/h3-12,15-16H,13-14H2,2H3.
What are the key properties of 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?
5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one has a molecular weight of 397.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one is sourced from PubChem (CID 59843024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).