2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]

C16H20ClNO3 — CID 168876932

IUPAC2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
SMILESClc1cc(OCC2COC2)c2c(n1)C1(CCC2)CCOC1
InChIInChI=1S/C16H20ClNO3/c17-14-6-13(21-9-11-7-20-8-11)12-2-1-3-16(15(12)18-14)4-5-19-10-16/h6,11H,1-5,7-10H2
InChIKeyKZDFJBPXDKNTLG-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]

2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] (PubChem CID 168876932) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
PubChem CID168876932
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
SMILESClc1cc(OCC2COC2)c2c(n1)C1(CCC2)CCOC1
InChIInChI=1S/C16H20ClNO3/c17-14-6-13(21-9-11-7-20-8-11)12-2-1-3-16(15(12)18-14)4-5-19-10-16/h6,11H,1-5,7-10H2
InChIKeyKZDFJBPXDKNTLG-UHFFFAOYSA-N
XLogP2.75
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] with MolForge

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Related Compounds

N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876970
2-chloro-4-(3-methoxybutoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 175206156
4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876998
3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805
2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
CID 163377534
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898767

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]?
The IUPAC name of 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] (CID 168876932) is 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane].
What is the SMILES notation for 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]?
The canonical SMILES for 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] is Clc1cc(OCC2COC2)c2c(n1)C1(CCC2)CCOC1.
What is the InChIKey of 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]?
The InChIKey is KZDFJBPXDKNTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-6-13(21-9-11-7-20-8-11)12-2-1-3-16(15(12)18-14)4-5-19-10-16/h6,11H,1-5,7-10H2.
What are the key properties of 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]?
2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] has a molecular weight of 309.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane] is sourced from PubChem (CID 168876932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).