1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine

C15H14ClN3O — CID 166546558

IUPAC1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine
SMILESClc1cc2c(C3=COCC3)cnc(N3CCC3)c2cn1
InChIInChI=1S/C15H14ClN3O/c16-14-6-11-12(10-2-5-20-9-10)7-18-15(13(11)8-17-14)19-3-1-4-19/h6-9H,1-5H2
InChIKeyAPBIBWMSUGWFBO-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.25
Rot. Bonds2

About 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine

1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine (PubChem CID 166546558) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine.

Molecular Properties

Compound Name1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine
PubChem CID166546558
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine
SMILESClc1cc2c(C3=COCC3)cnc(N3CCC3)c2cn1
InChIInChI=1S/C15H14ClN3O/c16-14-6-11-12(10-2-5-20-9-10)7-18-15(13(11)8-17-14)19-3-1-4-19/h6-9H,1-5H2
InChIKeyAPBIBWMSUGWFBO-UHFFFAOYSA-N
XLogP3.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine?
The IUPAC name of 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine (CID 166546558) is 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine.
What is the SMILES notation for 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine?
The canonical SMILES for 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine is Clc1cc2c(C3=COCC3)cnc(N3CCC3)c2cn1.
What is the InChIKey of 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine?
The InChIKey is APBIBWMSUGWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-14-6-11-12(10-2-5-20-9-10)7-18-15(13(11)8-17-14)19-3-1-4-19/h6-9H,1-5H2.
What are the key properties of 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine?
1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine has a molecular weight of 287.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine is sourced from PubChem (CID 166546558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).