1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one

C19H21NO2 — CID 4148227

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,4,6,10,13-14H2,1H3
InChIKeyRAZJCYIGUAIPSC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.61
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 4148227) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID4148227
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,4,6,10,13-14H2,1H3
InChIKeyRAZJCYIGUAIPSC-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one (CID 4148227) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is RAZJCYIGUAIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,4,6,10,13-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 4148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).