1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline

C15H21NO2 — CID 66472298

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCC1OCCCO1
InChIInChI=1S/C15H21NO2/c1-2-7-14-13(5-1)6-3-9-16(14)10-8-15-17-11-4-12-18-15/h1-2,5,7,15H,3-4,6,8-12H2
InChIKeyAKRGBMRXPQGACC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline

1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline (PubChem CID 66472298) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
PubChem CID66472298
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCC1OCCCO1
InChIInChI=1S/C15H21NO2/c1-2-7-14-13(5-1)6-3-9-16(14)10-8-15-17-11-4-12-18-15/h1-2,5,7,15H,3-4,6,8-12H2
InChIKeyAKRGBMRXPQGACC-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 112706602
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dihydroisoindole
CID 66474126
2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]morpholine
CID 66426870
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
CID 66473506
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 112507559
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline (CID 66472298) is 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2CCC1OCCCO1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline?
The InChIKey is AKRGBMRXPQGACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-7-14-13(5-1)6-3-9-16(14)10-8-15-17-11-4-12-18-15/h1-2,5,7,15H,3-4,6,8-12H2.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline?
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline has a molecular weight of 247.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 66472298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).