1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol

C20H18FNO — CID 122441896

IUPAC1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cc2ccc(F)cc2nc1-c1ccccc1
InChIInChI=1S/C20H18FNO/c1-2-3-9-19(23)17-12-15-10-11-16(21)13-18(15)22-20(17)14-7-5-4-6-8-14/h2,4-8,10-13,19,23H,1,3,9H2
InChIKeyUYXGPVWLARABHK-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.04
Rot. Bonds5

About 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol

1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol (PubChem CID 122441896) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol
PubChem CID122441896
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cc2ccc(F)cc2nc1-c1ccccc1
InChIInChI=1S/C20H18FNO/c1-2-3-9-19(23)17-12-15-10-11-16(21)13-18(15)22-20(17)14-7-5-4-6-8-14/h2,4-8,10-13,19,23H,1,3,9H2
InChIKeyUYXGPVWLARABHK-UHFFFAOYSA-N
XLogP5.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol?
The IUPAC name of 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol (CID 122441896) is 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol?
The canonical SMILES for 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol is C=CCCC(O)c1cc2ccc(F)cc2nc1-c1ccccc1.
What is the InChIKey of 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol?
The InChIKey is UYXGPVWLARABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c1-2-3-9-19(23)17-12-15-10-11-16(21)13-18(15)22-20(17)14-7-5-4-6-8-14/h2,4-8,10-13,19,23H,1,3,9H2.
What are the key properties of 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol?
1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol has a molecular weight of 307.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-phenylquinolin-3-yl)pent-4-en-1-ol is sourced from PubChem (CID 122441896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).