1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone

C22H27NO4 — CID 51271270

IUPAC1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C22H27NO4/c1-15-6-8-20-18(11-15)5-4-10-23(20)13-19(25)14-27-21-9-7-17(16(2)24)12-22(21)26-3/h6-9,11-12,19,25H,4-5,10,13-14H2,1-3H3
InChIKeyWEDALLXBBVJWPE-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.40
Rot. Bonds7

About 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone

1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone (PubChem CID 51271270) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone
PubChem CID51271270
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C22H27NO4/c1-15-6-8-20-18(11-15)5-4-10-23(20)13-19(25)14-27-21-9-7-17(16(2)24)12-22(21)26-3/h6-9,11-12,19,25H,4-5,10,13-14H2,1-3H3
InChIKeyWEDALLXBBVJWPE-UHFFFAOYSA-N
XLogP3.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 94488286
2-(4-acetyl-2-methoxyphenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26083759
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
1-ethoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63934170
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51927189
1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 7247975
1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 1259558
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 17472543
1-[4-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 3154143
1-[4-[(2S)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2147508
1-[4-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2147514

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone (CID 51271270) is 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCC(O)CN1CCCc2cc(C)ccc21.
What is the InChIKey of 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone?
The InChIKey is WEDALLXBBVJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-6-8-20-18(11-15)5-4-10-23(20)13-19(25)14-27-21-9-7-17(16(2)24)12-22(21)26-3/h6-9,11-12,19,25H,4-5,10,13-14H2,1-3H3.
What are the key properties of 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone?
1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone has a molecular weight of 369.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 51271270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).