1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone

C21H21NO3 — CID 22446096

IUPAC1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(OC(C)C)cc2cc1OCc1ccccc1
InChIInChI=1S/C21H21NO3/c1-14(2)25-18-9-10-19-17(11-18)12-20(21(22-19)15(3)23)24-13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyAXRTYICXFGDBFQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.80
Rot. Bonds6

About 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone

1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone (PubChem CID 22446096) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
PubChem CID22446096
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(OC(C)C)cc2cc1OCc1ccccc1
InChIInChI=1S/C21H21NO3/c1-14(2)25-18-9-10-19-17(11-18)12-20(21(22-19)15(3)23)24-13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyAXRTYICXFGDBFQ-UHFFFAOYSA-N
XLogP4.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 90905721
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
benzyl 2-[[6-(benzenesulfonyl)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692238
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene
CID 53483705
[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate
CID 175131853
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone?
The IUPAC name of 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone (CID 22446096) is 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone?
The canonical SMILES for 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone is CC(=O)c1nc2ccc(OC(C)C)cc2cc1OCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone?
The InChIKey is AXRTYICXFGDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14(2)25-18-9-10-19-17(11-18)12-20(21(22-19)15(3)23)24-13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3.
What are the key properties of 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone?
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone has a molecular weight of 335.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone is sourced from PubChem (CID 22446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).