3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C18H11F4N3O3 — CID 19025380

IUPAC3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC#CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C18H11F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h1,4-5,7-9H,6H2,2H3
InChIKeyMHQDVXATOAVDQM-UHFFFAOYSA-N
MW393.30 g/mol
LogP1.64
Rot. Bonds2

About 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 19025380) has the molecular formula C18H11F4N3O3 and a molecular weight of 393.30 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID19025380
Molecular FormulaC18H11F4N3O3
Molecular Weight393.30 g/mol
Exact Mass393.07
IUPAC Name3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC#CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C18H11F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h1,4-5,7-9H,6H2,2H3
InChIKeyMHQDVXATOAVDQM-UHFFFAOYSA-N
XLogP1.64
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 19025380) is 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is C#CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MHQDVXATOAVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h1,4-5,7-9H,6H2,2H3.
What are the key properties of 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 393.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 19025380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).