2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone

C25H25NO2 — CID 102132540

IUPAC2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone
SMILESCOc1cccc(CC2CCc3ccccc3N2CC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25NO2/c1-28-23-12-7-8-19(17-23)16-22-15-14-20-9-5-6-13-24(20)26(22)18-25(27)21-10-3-2-4-11-21/h2-13,17,22H,14-16,18H2,1H3
InChIKeyYLOHTOTZCWVYQW-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.94
Rot. Bonds6

About 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone

2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone (PubChem CID 102132540) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone
PubChem CID102132540
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone
SMILESCOc1cccc(CC2CCc3ccccc3N2CC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25NO2/c1-28-23-12-7-8-19(17-23)16-22-15-14-20-9-5-6-13-24(20)26(22)18-25(27)21-10-3-2-4-11-21/h2-13,17,22H,14-16,18H2,1H3
InChIKeyYLOHTOTZCWVYQW-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide
CID 67673612
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2-[(3aR,4R,6aS)-4-[(3-methoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]acetic acid
CID 110096890
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007
[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
CID 57433178
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110399850
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone (CID 102132540) is 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone is COc1cccc(CC2CCc3ccccc3N2CC(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone?
The InChIKey is YLOHTOTZCWVYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-28-23-12-7-8-19(17-23)16-22-15-14-20-9-5-6-13-24(20)26(22)18-25(27)21-10-3-2-4-11-21/h2-13,17,22H,14-16,18H2,1H3.
What are the key properties of 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone?
2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone has a molecular weight of 371.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone is sourced from PubChem (CID 102132540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).