1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H18ClNO2 — CID 82050609

IUPAC1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc(Cl)c(C(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C18H18ClNO2/c1-22-14-8-9-16(19)15(11-14)18(21)12-20-10-4-6-13-5-2-3-7-17(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyGINPPXKINZFKFL-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 82050609) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID82050609
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc(Cl)c(C(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C18H18ClNO2/c1-22-14-8-9-16(19)15(11-14)18(21)12-20-10-4-6-13-5-2-3-7-17(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyGINPPXKINZFKFL-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.98
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
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82050319
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 43228016
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide
CID 9272335
2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43228012
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate
CID 5127951
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 31308382

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 82050609) is 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1ccc(Cl)c(C(=O)CN2CCCc3ccccc32)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is GINPPXKINZFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-14-8-9-16(19)15(11-14)18(21)12-20-10-4-6-13-5-2-3-7-17(13)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 315.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 82050609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).