2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]

C17H17ClN2 — CID 138999113

IUPAC2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]
SMILESClc1cnccc1N1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H17ClN2/c18-15-10-19-9-6-16(15)20-11-13-4-1-2-5-14(13)17(12-20)7-3-8-17/h1-2,4-6,9-10H,3,7-8,11-12H2
InChIKeyQLDSGXGKTXXALE-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.18
Rot. Bonds1

About 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]

2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane] (PubChem CID 138999113) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane].

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]
PubChem CID138999113
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]
SMILESClc1cnccc1N1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H17ClN2/c18-15-10-19-9-6-16(15)20-11-13-4-1-2-5-14(13)17(12-20)7-3-8-17/h1-2,4-6,9-10H,3,7-8,11-12H2
InChIKeyQLDSGXGKTXXALE-UHFFFAOYSA-N
XLogP4.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]?
The IUPAC name of 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane] (CID 138999113) is 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane].
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane] is Clc1cnccc1N1Cc2ccccc2C2(CCC2)C1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]?
The InChIKey is QLDSGXGKTXXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-15-10-19-9-6-16(15)20-11-13-4-1-2-5-14(13)17(12-20)7-3-8-17/h1-2,4-6,9-10H,3,7-8,11-12H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]?
2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane] has a molecular weight of 284.79 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane] is sourced from PubChem (CID 138999113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).