2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H17NO3 — CID 112765978

IUPAC2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1=COCCO1
InChIInChI=1S/C15H17NO3/c1-11-6-7-12-4-2-3-5-13(12)16(11)15(17)14-10-18-8-9-19-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBRCOCQOFBDTHMN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds1

About 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 112765978) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID112765978
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1=COCCO1
InChIInChI=1S/C15H17NO3/c1-11-6-7-12-4-2-3-5-13(12)16(11)15(17)14-10-18-8-9-19-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBRCOCQOFBDTHMN-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95898230
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62239405
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765907
(4-amino-1,2,5-oxadiazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62686666
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115293471
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 112765978) is 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)C1=COCCO1.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BRCOCQOFBDTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-6-7-12-4-2-3-5-13(12)16(11)15(17)14-10-18-8-9-19-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 112765978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).