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

C19H18N2O2 — CID 68760579

IUPAC1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
SMILESCCNc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-20-16-6-8-17(9-7-16)23-19-11-5-15-12-14(13(2)22)4-10-18(15)21-19/h4-12,20H,3H2,1-2H3
InChIKeyHCUZUYHGDJNNHP-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.66
Rot. Bonds5

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

1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone (PubChem CID 68760579) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
PubChem CID68760579
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
SMILESCCNc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-20-16-6-8-17(9-7-16)23-19-11-5-15-12-14(13(2)22)4-10-18(15)21-19/h4-12,20H,3H2,1-2H3
InChIKeyHCUZUYHGDJNNHP-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone (CID 68760579) is 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone is CCNc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)cc1.
What is the InChIKey of 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone?
The InChIKey is HCUZUYHGDJNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-20-16-6-8-17(9-7-16)23-19-11-5-15-12-14(13(2)22)4-10-18(15)21-19/h4-12,20H,3H2,1-2H3.
What are the key properties of 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone?
1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone is sourced from PubChem (CID 68760579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).