4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]

C16H19N3O2 — CID 88940904

IUPAC4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]
SMILESCc1cc(C2=C=CNC3=C2CC2(CC3)OCCO2)nn1C
InChIInChI=1S/C16H19N3O2/c1-11-9-15(18-19(11)2)12-4-6-17-14-3-5-16(10-13(12)14)20-7-8-21-16/h6,9,17H,3,5,7-8,10H2,1-2H3
InChIKeyNHKHMYHDVILFAC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds1

About 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]

4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] (PubChem CID 88940904) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline].

Molecular Properties

Compound Name4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]
PubChem CID88940904
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]
SMILESCc1cc(C2=C=CNC3=C2CC2(CC3)OCCO2)nn1C
InChIInChI=1S/C16H19N3O2/c1-11-9-15(18-19(11)2)12-4-6-17-14-3-5-16(10-13(12)14)20-7-8-21-16/h6,9,17H,3,5,7-8,10H2,1-2H3
InChIKeyNHKHMYHDVILFAC-UHFFFAOYSA-N
XLogP2.01
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]?
The IUPAC name of 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] (CID 88940904) is 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline].
What is the SMILES notation for 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]?
The canonical SMILES for 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] is Cc1cc(C2=C=CNC3=C2CC2(CC3)OCCO2)nn1C.
What is the InChIKey of 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]?
The InChIKey is NHKHMYHDVILFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-15(18-19(11)2)12-4-6-17-14-3-5-16(10-13(12)14)20-7-8-21-16/h6,9,17H,3,5,7-8,10H2,1-2H3.
What are the key properties of 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]?
4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] has a molecular weight of 285.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(1,5-dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline] is sourced from PubChem (CID 88940904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).