2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione

C28H23FN2O4 — CID 122448273

IUPAC2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cn(CCCN3C(=O)c4ccccc4C3=O)c3c(C)ccc(F)c3c2=O)cc1
InChIInChI=1S/C28H23FN2O4/c1-17-8-13-23(29)24-25(17)30(16-22(26(24)32)18-9-11-19(35-2)12-10-18)14-5-15-31-27(33)20-6-3-4-7-21(20)28(31)34/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyXSOJBPTWPBJLGV-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.81
Rot. Bonds6

About 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione

2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 122448273) has the molecular formula C28H23FN2O4 and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione
PubChem CID122448273
Molecular FormulaC28H23FN2O4
Molecular Weight470.50 g/mol
Exact Mass470.16
IUPAC Name2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cn(CCCN3C(=O)c4ccccc4C3=O)c3c(C)ccc(F)c3c2=O)cc1
InChIInChI=1S/C28H23FN2O4/c1-17-8-13-23(29)24-25(17)30(16-22(26(24)32)18-9-11-19(35-2)12-10-18)14-5-15-31-27(33)20-6-3-4-7-21(20)28(31)34/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyXSOJBPTWPBJLGV-UHFFFAOYSA-N
XLogP4.81
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(4-bromobutyl)-8-butyl-5-fluoro-3-(4-methoxyphenyl)quinolin-4-one
CID 70226869
N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
CID 154461103
2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
CID 58492561
5-fluoro-3-(4-methoxyphenyl)-1-(2-phenylmethoxyethyl)-8-propoxyquinolin-4-one
CID 151128827
1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
CID 66917324
5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
CID 58492443
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-methoxyphenyl)phosphanium
CID 70693782
(2S)-2,6-diamino-N-[2-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]ethyl]hexanamide
CID 67461733
tris[[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl] phosphate
CID 140570251
2-[4-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]butyl]isoindole-1,3-dione
CID 14873552
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate
CID 67427035

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione (CID 122448273) is 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione is COc1ccc(-c2cn(CCCN3C(=O)c4ccccc4C3=O)c3c(C)ccc(F)c3c2=O)cc1.
What is the InChIKey of 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is XSOJBPTWPBJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O4/c1-17-8-13-23(29)24-25(17)30(16-22(26(24)32)18-9-11-19(35-2)12-10-18)14-5-15-31-27(33)20-6-3-4-7-21(20)28(31)34/h3-4,6-13,16H,5,14-15H2,1-2H3.
What are the key properties of 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 470.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-fluoro-3-(4-methoxyphenyl)-8-methyl-4-oxoquinolin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 122448273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).