1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione

C14H11FN4O2 — CID 63556991

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c2ncccc12
InChIInChI=1S/C14H11FN4O2/c15-10-7-19(14(21)18-13(10)20)6-8-3-4-11(16)9-2-1-5-17-12(8)9/h1-5,7H,6,16H2,(H,18,20,21)
InChIKeyKSGSGBFJZMWDJN-UHFFFAOYSA-N
MW286.27 g/mol
LogP0.85
Rot. Bonds2

About 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63556991) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63556991
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c2ncccc12
InChIInChI=1S/C14H11FN4O2/c15-10-7-19(14(21)18-13(10)20)6-8-3-4-11(16)9-2-1-5-17-12(8)9/h1-5,7H,6,16H2,(H,18,20,21)
InChIKeyKSGSGBFJZMWDJN-UHFFFAOYSA-N
XLogP0.85
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione (CID 63556991) is 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione is Nc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c2ncccc12.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is KSGSGBFJZMWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-7-19(14(21)18-13(10)20)6-8-3-4-11(16)9-2-1-5-17-12(8)9/h1-5,7H,6,16H2,(H,18,20,21).
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 286.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63556991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).