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

C18H19NO2 — CID 669074

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-16-10-8-14(9-11-16)13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyJXMZEMCNFCPVSO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 669074) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID669074
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-16-10-8-14(9-11-16)13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyJXMZEMCNFCPVSO-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methoxyphenyl)ethanone
CID 744395
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183033
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111183036
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone (CID 669074) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is JXMZEMCNFCPVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-16-10-8-14(9-11-16)13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.22, 3 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)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 669074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).