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

C20H18ClNO3 — CID 68759980

IUPAC1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(Oc3ccc(OC(C)C)c(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-12(2)24-19-8-6-16(11-17(19)21)25-20-9-5-15-10-14(13(3)23)4-7-18(15)22-20/h4-12H,1-3H3
InChIKeyHZZGNXQHBXREGD-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.67
Rot. Bonds5

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

1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone (PubChem CID 68759980) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone
PubChem CID68759980
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(Oc3ccc(OC(C)C)c(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-12(2)24-19-8-6-16(11-17(19)21)25-20-9-5-15-10-14(13(3)23)4-7-18(15)22-20/h4-12H,1-3H3
InChIKeyHZZGNXQHBXREGD-UHFFFAOYSA-N
XLogP5.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone (CID 68759980) is 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone is CC(=O)c1ccc2nc(Oc3ccc(OC(C)C)c(Cl)c3)ccc2c1.
What is the InChIKey of 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone?
The InChIKey is HZZGNXQHBXREGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-12(2)24-19-8-6-16(11-17(19)21)25-20-9-5-15-10-14(13(3)23)4-7-18(15)22-20/h4-12H,1-3H3.
What are the key properties of 1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone?
1-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone has a molecular weight of 355.82 g/mol, XLogP of 5.67, 5 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-propan-2-yloxyphenoxy)quinolin-6-yl]ethanone is sourced from PubChem (CID 68759980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).