5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

C29H23FN4O4 — CID 46881694

IUPAC5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc3c(c2)CN(CC2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1
InChIInChI=1S/C29H23FN4O4/c1-17-12-19(23-4-2-3-5-25(23)31-17)15-38-22-10-11-24-18(13-22)14-34(26(24)35)16-29(27(36)32-28(37)33-29)20-6-8-21(30)9-7-20/h2-13H,14-16H2,1H3,(H2,32,33,36,37)
InChIKeyCXUFMSGHQOMBDY-UHFFFAOYSA-N
MW510.53 g/mol
LogP3.95
Rot. Bonds6

About 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 46881694) has the molecular formula C29H23FN4O4 and a molecular weight of 510.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID46881694
Molecular FormulaC29H23FN4O4
Molecular Weight510.53 g/mol
Exact Mass510.17
IUPAC Name5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc3c(c2)CN(CC2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1
InChIInChI=1S/C29H23FN4O4/c1-17-12-19(23-4-2-3-5-25(23)31-17)15-38-22-10-11-24-18(13-22)14-34(26(24)35)16-29(27(36)32-28(37)33-29)20-6-8-21(30)9-7-20/h2-13H,14-16H2,1H3,(H2,32,33,36,37)
InChIKeyCXUFMSGHQOMBDY-UHFFFAOYSA-N
XLogP3.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 46881694) is 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is Cc1cc(COc2ccc3c(c2)CN(CC2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is CXUFMSGHQOMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O4/c1-17-12-19(23-4-2-3-5-25(23)31-17)15-38-22-10-11-24-18(13-22)14-34(26(24)35)16-29(27(36)32-28(37)33-29)20-6-8-21(30)9-7-20/h2-13H,14-16H2,1H3,(H2,32,33,36,37).
What are the key properties of 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 510.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[6-[(2-methylquinolin-4-yl)methoxy]-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).