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

C17H25NO — CID 106781636

IUPAC4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CC(C2CCNc3ccccc32)C(C)(C)O1
InChIInChI=1S/C17H25NO/c1-16(2)11-14(17(3,4)19-16)12-9-10-18-15-8-6-5-7-13(12)15/h5-8,12,14,18H,9-11H2,1-4H3
InChIKeyPBSHALRGDUYQMW-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.18
Rot. Bonds1

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

4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781636) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781636
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CC(C2CCNc3ccccc32)C(C)(C)O1
InChIInChI=1S/C17H25NO/c1-16(2)11-14(17(3,4)19-16)12-9-10-18-15-8-6-5-7-13(12)15/h5-8,12,14,18H,9-11H2,1-4H3
InChIKeyPBSHALRGDUYQMW-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-1,2,3,4-tetrahydroquinoline
CID 82405278
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
(1R,2R,10S,11S)-10,11-dimethyl-9,12-diazapentacyclo[9.7.1.12,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
CID 11781265
4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106779086
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 96619807
4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
CID 55279661
4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 155670658
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106781636) is 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline is CC1(C)CC(C2CCNc3ccccc32)C(C)(C)O1.
What is the InChIKey of 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PBSHALRGDUYQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)11-14(17(3,4)19-16)12-9-10-18-15-8-6-5-7-13(12)15/h5-8,12,14,18H,9-11H2,1-4H3.
What are the key properties of 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).