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

C22H25FN2O2 — CID 56971548

IUPAC1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
SMILESCCN(CC)c1ccc(-c2cc(OCC(O)CF)c3ccccc3n2)cc1
InChIInChI=1S/C22H25FN2O2/c1-3-25(4-2)17-11-9-16(10-12-17)21-13-22(27-15-18(26)14-23)19-7-5-6-8-20(19)24-21/h5-13,18,26H,3-4,14-15H2,1-2H3
InChIKeyNTDVUIMRRINEPJ-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.46
Rot. Bonds8

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

1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol (PubChem CID 56971548) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
PubChem CID56971548
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
SMILESCCN(CC)c1ccc(-c2cc(OCC(O)CF)c3ccccc3n2)cc1
InChIInChI=1S/C22H25FN2O2/c1-3-25(4-2)17-11-9-16(10-12-17)21-13-22(27-15-18(26)14-23)19-7-5-6-8-20(19)24-21/h5-13,18,26H,3-4,14-15H2,1-2H3
InChIKeyNTDVUIMRRINEPJ-UHFFFAOYSA-N
XLogP4.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol?
The IUPAC name of 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol (CID 56971548) is 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol?
The canonical SMILES for 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol is CCN(CC)c1ccc(-c2cc(OCC(O)CF)c3ccccc3n2)cc1.
What is the InChIKey of 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol?
The InChIKey is NTDVUIMRRINEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-25(4-2)17-11-9-16(10-12-17)21-13-22(27-15-18(26)14-23)19-7-5-6-8-20(19)24-21/h5-13,18,26H,3-4,14-15H2,1-2H3.
What are the key properties of 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol?
1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol has a molecular weight of 368.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol is sourced from PubChem (CID 56971548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).