2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine

C18H27ClN2O4 — CID 169305639

IUPAC2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCCOc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C18H27ClN2O4/c1-21(2)6-11-22-7-3-8-24-15-12-16(19)20-17-14(15)4-9-25-18(17)5-10-23-13-18/h12H,3-11,13H2,1-2H3
InChIKeySSHWNQJHMNNQAE-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.27
Rot. Bonds8

About 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine

2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine (PubChem CID 169305639) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine
PubChem CID169305639
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCCOc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C18H27ClN2O4/c1-21(2)6-11-22-7-3-8-24-15-12-16(19)20-17-14(15)4-9-25-18(17)5-10-23-13-18/h12H,3-11,13H2,1-2H3
InChIKeySSHWNQJHMNNQAE-UHFFFAOYSA-N
XLogP2.27
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine
CID 162728803
2-chloro-4-(3-methoxybutoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 175206156
4-[(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxymethyl]oxane-4-carbonitrile
CID 168877012
N-[3-[4-[2-(3-methoxyoxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011602
2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
CID 168876932
N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
CID 162728885
6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]
CID 162728785
N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide
CID 170012424
N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876887
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine (CID 169305639) is 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine is CN(C)CCOCCCOc1cc(Cl)nc2c1CCOC21CCOC1.
What is the InChIKey of 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine?
The InChIKey is SSHWNQJHMNNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-21(2)6-11-22-7-3-8-24-15-12-16(19)20-17-14(15)4-9-25-18(17)5-10-23-13-18/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine?
2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine has a molecular weight of 370.88 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 169305639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).