7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine

C17H19ClN2O2 — CID 162439706

IUPAC7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine
SMILESClc1cc2nc(CC3CCC4(CC3)OCCO4)ccc2cn1
InChIInChI=1S/C17H19ClN2O2/c18-16-10-15-13(11-19-16)1-2-14(20-15)9-12-3-5-17(6-4-12)21-7-8-22-17/h1-2,10-12H,3-9H2
InChIKeyJHGVIDRYGYZLRH-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.76
Rot. Bonds2

About 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine

7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine (PubChem CID 162439706) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine
PubChem CID162439706
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine
SMILESClc1cc2nc(CC3CCC4(CC3)OCCO4)ccc2cn1
InChIInChI=1S/C17H19ClN2O2/c18-16-10-15-13(11-19-16)1-2-14(20-15)9-12-3-5-17(6-4-12)21-7-8-22-17/h1-2,10-12H,3-9H2
InChIKeyJHGVIDRYGYZLRH-UHFFFAOYSA-N
XLogP3.76
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.76
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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Related Compounds

1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
CID 166940512
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide
CID 90985661
2-bromo-7-chloro-1,6-naphthyridine
CID 138754733
2-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolo[2,3-d]pyrimidine
CID 147432522
7-chloro-2-(1-piperidin-4-ylethenyl)-1,6-naphthyridine
CID 156719458
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazole
CID 91662372
5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119052804
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797402
4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)benzenesulfonic acid
CID 118435696
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
CID 77231038

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine?
The IUPAC name of 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine (CID 162439706) is 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine.
What is the SMILES notation for 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine?
The canonical SMILES for 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine is Clc1cc2nc(CC3CCC4(CC3)OCCO4)ccc2cn1.
What is the InChIKey of 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine?
The InChIKey is JHGVIDRYGYZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-16-10-15-13(11-19-16)1-2-14(20-15)9-12-3-5-17(6-4-12)21-7-8-22-17/h1-2,10-12H,3-9H2.
What are the key properties of 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine?
7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine has a molecular weight of 318.80 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1,6-naphthyridine is sourced from PubChem (CID 162439706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).