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

C19H18N4O2 — CID 118710287

IUPAC6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccn4)C3)cnc2N1
InChIInChI=1S/C19H18N4O2/c24-17-6-5-14-9-13(10-21-19(14)22-17)4-7-18(25)23-11-15(12-23)16-3-1-2-8-20-16/h1-4,7-10,15H,5-6,11-12H2,(H,21,22,24)/b7-4+
InChIKeyCLCRJHVGALVENL-QPJJXVBHSA-N
MW334.38 g/mol
LogP2.00
Rot. Bonds3

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

6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118710287) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118710287
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccn4)C3)cnc2N1
InChIInChI=1S/C19H18N4O2/c24-17-6-5-14-9-13(10-21-19(14)22-17)4-7-18(25)23-11-15(12-23)16-3-1-2-8-20-16/h1-4,7-10,15H,5-6,11-12H2,(H,21,22,24)/b7-4+
InChIKeyCLCRJHVGALVENL-QPJJXVBHSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118710287) is 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-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-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccn4)C3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CLCRJHVGALVENL-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-17-6-5-14-9-13(10-21-19(14)22-17)4-7-18(25)23-11-15(12-23)16-3-1-2-8-20-16/h1-4,7-10,15H,5-6,11-12H2,(H,21,22,24)/b7-4+.
What are the key properties of 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).