3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline

C18H27NO — CID 106781632

IUPAC3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H27NO/c1-12-10-13-8-6-7-9-15(13)19-16(12)14-11-17(2,3)20-18(14,4)5/h6-9,12,14,16,19H,10-11H2,1-5H3
InChIKeyUVLZPNFDLUWTBG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds1

About 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline

3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781632) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781632
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H27NO/c1-12-10-13-8-6-7-9-15(13)19-16(12)14-11-17(2,3)20-18(14,4)5/h6-9,12,14,16,19H,10-11H2,1-5H3
InChIKeyUVLZPNFDLUWTBG-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106781632) is 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UVLZPNFDLUWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-10-13-8-6-7-9-15(13)19-16(12)14-11-17(2,3)20-18(14,4)5/h6-9,12,14,16,19H,10-11H2,1-5H3.
What are the key properties of 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.42 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).