1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one

C24H20FNO3 — CID 42885525

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20FNO3/c1-29-19-11-12-20-21(16-5-3-2-4-6-16)14-24(28)26(22(20)13-19)15-23(27)17-7-9-18(25)10-8-17/h2-14,23,27H,15H2,1H3
InChIKeyXWCGONGFLZYCGK-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.55
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one (PubChem CID 42885525) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one
PubChem CID42885525
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20FNO3/c1-29-19-11-12-20-21(16-5-3-2-4-6-16)14-24(28)26(22(20)13-19)15-23(27)17-7-9-18(25)10-8-17/h2-14,23,27H,15H2,1H3
InChIKeyXWCGONGFLZYCGK-UHFFFAOYSA-N
XLogP4.55
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one (CID 42885525) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one is COc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one?
The InChIKey is XWCGONGFLZYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-29-19-11-12-20-21(16-5-3-2-4-6-16)14-24(28)26(22(20)13-19)15-23(27)17-7-9-18(25)10-8-17/h2-14,23,27H,15H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one has a molecular weight of 389.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 42885525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).