1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone

C18H14ClNO2 — CID 90444035

IUPAC1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C18H14ClNO2/c1-12(21)15-8-14-5-6-17(9-18(14)20-10-15)22-11-13-3-2-4-16(19)7-13/h2-10H,11H2,1H3
InChIKeyFOGAKIZODFJOAL-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.67
Rot. Bonds4

About 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone

1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone (PubChem CID 90444035) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
PubChem CID90444035
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C18H14ClNO2/c1-12(21)15-8-14-5-6-17(9-18(14)20-10-15)22-11-13-3-2-4-16(19)7-13/h2-10H,11H2,1H3
InChIKeyFOGAKIZODFJOAL-UHFFFAOYSA-N
XLogP4.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444039
7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
CID 86301486
tert-butyl N-[2-[[7-[(3-chlorophenyl)methoxy]quinoline-3-carbonyl]amino]ethyl]carbamate
CID 131733288
[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine
CID 86301487
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
CID 59626117
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
2-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
(2S)-2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid;1-(4-aminophenyl)ethanone
CID 70092414

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone?
The IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone (CID 90444035) is 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone is CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone?
The InChIKey is FOGAKIZODFJOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12(21)15-8-14-5-6-17(9-18(14)20-10-15)22-11-13-3-2-4-16(19)7-13/h2-10H,11H2,1H3.
What are the key properties of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone?
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone has a molecular weight of 311.77 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone is sourced from PubChem (CID 90444035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).