1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

C20H30N2O3 — CID 46965271

IUPAC1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCc2cc(C(O)CN3CCOCC3)ccc21
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(24)22-8-4-5-15-13-16(6-7-17(15)22)18(23)14-21-9-11-25-12-10-21/h6-7,13,18,23H,4-5,8-12,14H2,1-3H3
InChIKeyNQTYYAJYXHDTMB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.38
Rot. Bonds3

About 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 46965271) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID46965271
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCc2cc(C(O)CN3CCOCC3)ccc21
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(24)22-8-4-5-15-13-16(6-7-17(15)22)18(23)14-21-9-11-25-12-10-21/h6-7,13,18,23H,4-5,8-12,14H2,1-3H3
InChIKeyNQTYYAJYXHDTMB-UHFFFAOYSA-N
XLogP2.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[5-(1-hydroxy-2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
CID 16676715
1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 51872126
1-[6-[(1R)-2-(4-tert-butylpiperidin-1-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 51501002
1-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16677020
cyclopropyl-[6-[(1S)-1-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51501112
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
1-[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965248
1-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 46954781
1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 92553059
cyclopropyl-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51588951
[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 46965260
[6-[(1S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 124786858

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one (CID 46965271) is 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCc2cc(C(O)CN3CCOCC3)ccc21.
What is the InChIKey of 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NQTYYAJYXHDTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)19(24)22-8-4-5-15-13-16(6-7-17(15)22)18(23)14-21-9-11-25-12-10-21/h6-7,13,18,23H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?
1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 46965271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).