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

C16H22N2O2 — CID 115293471

IUPAC(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1(N)CCOCC1
InChIInChI=1S/C16H22N2O2/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)16(17)8-10-20-11-9-16/h2-5,12H,6-11,17H2,1H3
InChIKeyZVYWABWHOJJJNB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds1

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

(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 115293471) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID115293471
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1(N)CCOCC1
InChIInChI=1S/C16H22N2O2/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)16(17)8-10-20-11-9-16/h2-5,12H,6-11,17H2,1H3
InChIKeyZVYWABWHOJJJNB-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63141049
[1-(aminomethyl)-3-methylcyclobutyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 80587521
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
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
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone
CID 66434915
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 115293471) is (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)C1(N)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZVYWABWHOJJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)16(17)8-10-20-11-9-16/h2-5,12H,6-11,17H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 115293471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).