6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C19H25N3O4 — CID 67154795

IUPAC6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCOCCCOC1CN(C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C19H25N3O4/c1-2-25-8-3-9-26-16-12-22(13-16)18(24)7-4-14-10-15-5-6-17(23)21-19(15)20-11-14/h4,7,10-11,16H,2-3,5-6,8-9,12-13H2,1H3,(H,20,21,23)
InChIKeyKBJZCVFOHSMEEN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.63
Rot. Bonds8

About 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 67154795) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID67154795
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCOCCCOC1CN(C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C19H25N3O4/c1-2-25-8-3-9-26-16-12-22(13-16)18(24)7-4-14-10-15-5-6-17(23)21-19(15)20-11-14/h4,7,10-11,16H,2-3,5-6,8-9,12-13H2,1H3,(H,20,21,23)
InChIKeyKBJZCVFOHSMEEN-UHFFFAOYSA-N
XLogP1.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 67154795) is 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCOCCCOC1CN(C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is KBJZCVFOHSMEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-25-8-3-9-26-16-12-22(13-16)18(24)7-4-14-10-15-5-6-17(23)21-19(15)20-11-14/h4,7,10-11,16H,2-3,5-6,8-9,12-13H2,1H3,(H,20,21,23).
What are the key properties of 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(3-ethoxypropoxy)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 67154795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).