1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone

C20H18ClNO3 — CID 68761204

IUPAC1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone
SMILESCCCOc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1Cl
InChIInChI=1S/C20H18ClNO3/c1-3-10-24-19-8-6-16(12-17(19)21)25-20-9-5-15-11-14(13(2)23)4-7-18(15)22-20/h4-9,11-12H,3,10H2,1-2H3
InChIKeyXWFPIODGLAUDQS-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.67
Rot. Bonds6

About 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone

1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone (PubChem CID 68761204) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone
PubChem CID68761204
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone
SMILESCCCOc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1Cl
InChIInChI=1S/C20H18ClNO3/c1-3-10-24-19-8-6-16(12-17(19)21)25-20-9-5-15-11-14(13(2)23)4-7-18(15)22-20/h4-9,11-12H,3,10H2,1-2H3
InChIKeyXWFPIODGLAUDQS-UHFFFAOYSA-N
XLogP5.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone
CID 68759980
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
CID 68759784
1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
CID 68760579
2-[2-(2-chloro-4-propoxyphenoxy)quinolin-6-yl]acetaldehyde
CID 87564495
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462
2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
CID 68759944
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
2-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
CID 87564191
2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
CID 43451123
(3-chloro-4-propoxyphenoxy)boronic acid
CID 142765671
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone (CID 68761204) is 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone is CCCOc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone?
The InChIKey is XWFPIODGLAUDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-3-10-24-19-8-6-16(12-17(19)21)25-20-9-5-15-11-14(13(2)23)4-7-18(15)22-20/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone?
1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone has a molecular weight of 355.82 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone is sourced from PubChem (CID 68761204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).