1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol

C20H21FN2O2 — CID 56968692

IUPAC1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
SMILESCCNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-22-16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)23-19)25-13-17(24)12-21/h3-11,17,22,24H,2,12-13H2,1H3
InChIKeyKKZWUWREXYAJBM-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.04
Rot. Bonds7

About 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol

1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol (PubChem CID 56968692) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
PubChem CID56968692
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
SMILESCCNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-22-16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)23-19)25-13-17(24)12-21/h3-11,17,22,24H,2,12-13H2,1H3
InChIKeyKKZWUWREXYAJBM-UHFFFAOYSA-N
XLogP4.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol?
The IUPAC name of 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol (CID 56968692) is 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol?
The canonical SMILES for 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol is CCNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1.
What is the InChIKey of 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol?
The InChIKey is KKZWUWREXYAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-22-16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)23-19)25-13-17(24)12-21/h3-11,17,22,24H,2,12-13H2,1H3.
What are the key properties of 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol?
1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol has a molecular weight of 340.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol is sourced from PubChem (CID 56968692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).