6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C20H19N3O2 — CID 118710288

IUPAC6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccc4)C3)cnc2N1
InChIInChI=1S/C20H19N3O2/c24-18-8-7-16-10-14(11-21-20(16)22-18)6-9-19(25)23-12-17(13-23)15-4-2-1-3-5-15/h1-6,9-11,17H,7-8,12-13H2,(H,21,22,24)/b9-6+
InChIKeyXWUDCBZHFRCBSR-RMKNXTFCSA-N
MW333.39 g/mol
LogP2.61
Rot. Bonds3

About 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118710288) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118710288
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccc4)C3)cnc2N1
InChIInChI=1S/C20H19N3O2/c24-18-8-7-16-10-14(11-21-20(16)22-18)6-9-19(25)23-12-17(13-23)15-4-2-1-3-5-15/h1-6,9-11,17H,7-8,12-13H2,(H,21,22,24)/b9-6+
InChIKeyXWUDCBZHFRCBSR-RMKNXTFCSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.61
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-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118710288) is 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccc4)C3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is XWUDCBZHFRCBSR-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18-8-7-16-10-14(11-21-20(16)22-18)6-9-19(25)23-12-17(13-23)15-4-2-1-3-5-15/h1-6,9-11,17H,7-8,12-13H2,(H,21,22,24)/b9-6+.
What are the key properties of 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118710288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).