(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one

C23H23NO2 — CID 28636053

IUPAC(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23NO2/c1-2-22(26-20-14-13-17-8-3-4-10-19(17)16-20)23(25)24-15-7-11-18-9-5-6-12-21(18)24/h3-6,8-10,12-14,16,22H,2,7,11,15H2,1H3/t22-/m0/s1
InChIKeyXERHNOMKWOSCJI-QFIPXVFZSA-N
MW345.44 g/mol
LogP4.98
Rot. Bonds4

About (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one (PubChem CID 28636053) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one
PubChem CID28636053
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23NO2/c1-2-22(26-20-14-13-17-8-3-4-10-19(17)16-20)23(25)24-15-7-11-18-9-5-6-12-21(18)24/h3-6,8-10,12-14,16,22H,2,7,11,15H2,1H3/t22-/m0/s1
InChIKeyXERHNOMKWOSCJI-QFIPXVFZSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one with MolForge

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 1225094
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23860348
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The IUPAC name of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one (CID 28636053) is (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one.
What is the SMILES notation for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The canonical SMILES for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one is CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The InChIKey is XERHNOMKWOSCJI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-22(26-20-14-13-17-8-3-4-10-19(17)16-20)23(25)24-15-7-11-18-9-5-6-12-21(18)24/h3-6,8-10,12-14,16,22H,2,7,11,15H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one has a molecular weight of 345.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one is sourced from PubChem (CID 28636053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).