1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone

C19H17NO3 — CID 19692233

IUPAC1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
SMILESCOc1ccc2nc(C(C)=O)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO3/c1-13(21)19-18(23-12-14-6-4-3-5-7-14)11-15-10-16(22-2)8-9-17(15)20-19/h3-11H,12H2,1-2H3
InChIKeyOPJCMOGNCSSKAW-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.03
Rot. Bonds5

About 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone

1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone (PubChem CID 19692233) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
PubChem CID19692233
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
SMILESCOc1ccc2nc(C(C)=O)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO3/c1-13(21)19-18(23-12-14-6-4-3-5-7-14)11-15-10-16(22-2)8-9-17(15)20-19/h3-11H,12H2,1-2H3
InChIKeyOPJCMOGNCSSKAW-UHFFFAOYSA-N
XLogP4.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
CID 20685342
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone?
The IUPAC name of 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone (CID 19692233) is 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone is COc1ccc2nc(C(C)=O)c(OCc3ccccc3)cc2c1.
What is the InChIKey of 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone?
The InChIKey is OPJCMOGNCSSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)19-18(23-12-14-6-4-3-5-7-14)11-15-10-16(22-2)8-9-17(15)20-19/h3-11H,12H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone?
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone is sourced from PubChem (CID 19692233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).