methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate

C21H25NO4 — CID 71888209

IUPACmethyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2CC(O)COc1ccccc1C
InChIInChI=1S/C21H25NO4/c1-15-7-3-4-11-20(15)26-14-16(23)13-22-12-6-9-17-18(21(24)25-2)8-5-10-19(17)22/h3-5,7-8,10-11,16,23H,6,9,12-14H2,1-2H3
InChIKeyKKSTTXGVFWXISH-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.97
Rot. Bonds6

About methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 71888209) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID71888209
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2CC(O)COc1ccccc1C
InChIInChI=1S/C21H25NO4/c1-15-7-3-4-11-20(15)26-14-16(23)13-22-12-6-9-17-18(21(24)25-2)8-5-10-19(17)22/h3-5,7-8,10-11,16,23H,6,9,12-14H2,1-2H3
InChIKeyKKSTTXGVFWXISH-UHFFFAOYSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
methyl 1-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 96999474
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
CID 73348151
5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 117068954
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 75466524
1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504
methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 87017854
methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 47056603
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone
CID 55544123
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate (CID 71888209) is methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2CC(O)COc1ccccc1C.
What is the InChIKey of methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is KKSTTXGVFWXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-7-3-4-11-20(15)26-14-16(23)13-22-12-6-9-17-18(21(24)25-2)8-5-10-19(17)22/h3-5,7-8,10-11,16,23H,6,9,12-14H2,1-2H3.
What are the key properties of methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 71888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).