[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane

C24H21FNOP — CID 170148962

IUPAC[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane
SMILESCCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(P)c2)cc1
InChIInChI=1S/C24H21FNOP/c1-3-27-19-8-4-16(5-9-19)17-6-10-20(24(28)13-17)23-12-15(2)21-14-18(25)7-11-22(21)26-23/h4-14H,3,28H2,1-2H3
InChIKeyHHBXNULYWTYGNB-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.92
Rot. Bonds4

About [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane

[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane (PubChem CID 170148962) has the molecular formula C24H21FNOP and a molecular weight of 389.41 g/mol. Its IUPAC name is [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane
PubChem CID170148962
Molecular FormulaC24H21FNOP
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane
SMILESCCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(P)c2)cc1
InChIInChI=1S/C24H21FNOP/c1-3-27-19-8-4-16(5-9-19)17-6-10-20(24(28)13-17)23-12-15(2)21-14-18(25)7-11-22(21)26-23/h4-14H,3,28H2,1-2H3
InChIKeyHHBXNULYWTYGNB-UHFFFAOYSA-N
XLogP5.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-butoxyphenyl)-3-fluorophenyl]-6-fluoro-4-methylquinoline
CID 170148996
6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline
CID 170149031
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
6-fluoro-2-[4-[2-(methoxymethyl)phenyl]phenyl]-4-methylquinoline
CID 170148664
6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
CID 42997566
6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 156547298
methyl 2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]-6-fluoroquinoline-4-carboxylate
CID 170148921
N-[4-[2-(4-ethoxyphenyl)-6-(4-fluorophenyl)-4-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 142449414
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane
CID 170149479
2-[4-(2-butoxyphenyl)-3-methylphenyl]-6-fluoroquinoline-4-carboxylic acid
CID 175339893

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane?
The IUPAC name of [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane (CID 170148962) is [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane.
What is the SMILES notation for [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane?
The canonical SMILES for [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane is CCOc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)c(P)c2)cc1.
What is the InChIKey of [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane?
The InChIKey is HHBXNULYWTYGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FNOP/c1-3-27-19-8-4-16(5-9-19)17-6-10-20(24(28)13-17)23-12-15(2)21-14-18(25)7-11-22(21)26-23/h4-14H,3,28H2,1-2H3.
What are the key properties of [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane?
[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane has a molecular weight of 389.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane is sourced from PubChem (CID 170148962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).