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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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).