1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone

C21H18ClNO3 — CID 68759784

IUPAC1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(Oc3ccc(OCC4CC4)cc3Cl)ccc2c1
InChIInChI=1S/C21H18ClNO3/c1-13(24)15-4-7-19-16(10-15)5-9-21(23-19)26-20-8-6-17(11-18(20)22)25-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3
InChIKeyRCYGSTIDGNCBMI-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.67
Rot. Bonds6

About 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone

1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone (PubChem CID 68759784) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
PubChem CID68759784
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(Oc3ccc(OCC4CC4)cc3Cl)ccc2c1
InChIInChI=1S/C21H18ClNO3/c1-13(24)15-4-7-19-16(10-15)5-9-21(23-19)26-20-8-6-17(11-18(20)22)25-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3
InChIKeyRCYGSTIDGNCBMI-UHFFFAOYSA-N
XLogP5.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
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-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone (CID 68759784) is 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone is CC(=O)c1ccc2nc(Oc3ccc(OCC4CC4)cc3Cl)ccc2c1.
What is the InChIKey of 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone?
The InChIKey is RCYGSTIDGNCBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-13(24)15-4-7-19-16(10-15)5-9-21(23-19)26-20-8-6-17(11-18(20)22)25-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3.
What are the key properties of 1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone?
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone has a molecular weight of 367.83 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-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone is sourced from PubChem (CID 68759784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).