1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene

C21H25NO2 — CID 143284760

IUPAC1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene
SMILESC=CC.CC1CCc2ccccc2N1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H19NO2.C3H6/c1-13-6-7-14-4-2-3-5-17(14)19(13)12-18(21)15-8-10-16(20)11-9-15;1-3-2/h2-5,8-11,13,20H,6-7,12H2,1H3;3H,1H2,2H3
InChIKeyALDFRHOUQQODED-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.61
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene

1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene (PubChem CID 143284760) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene
PubChem CID143284760
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene
SMILESC=CC.CC1CCc2ccccc2N1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H19NO2.C3H6/c1-13-6-7-14-4-2-3-5-17(14)19(13)12-18(21)15-8-10-16(20)11-9-15;1-3-2/h2-5,8-11,13,20H,6-7,12H2,1H3;3H,1H2,2H3
InChIKeyALDFRHOUQQODED-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
1-(4-hydroxyphenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63568293
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 40821789
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8724601
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene (CID 143284760) is 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene is C=CC.CC1CCc2ccccc2N1CC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene?
The InChIKey is ALDFRHOUQQODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.C3H6/c1-13-6-7-14-4-2-3-5-17(14)19(13)12-18(21)15-8-10-16(20)11-9-15;1-3-2/h2-5,8-11,13,20H,6-7,12H2,1H3;3H,1H2,2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene?
1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene has a molecular weight of 323.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene is sourced from PubChem (CID 143284760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).