(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate

C11H10F3N3O3 — CID 67973709

IUPAC(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)N1Cc2ccccc2N(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)9(18)20-17-6-16(10(15)19)5-7-3-1-2-4-8(7)17/h1-4H,5-6H2,(H2,15,19)
InChIKeyLDFPWWCFMMYKOD-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.37
Rot. Bonds1

About (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate

(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 67973709) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate
PubChem CID67973709
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)N1Cc2ccccc2N(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)9(18)20-17-6-16(10(15)19)5-7-3-1-2-4-8(7)17/h1-4H,5-6H2,(H2,15,19)
InChIKeyLDFPWWCFMMYKOD-UHFFFAOYSA-N
XLogP1.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate 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-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate (CID 67973709) is (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate is NC(=O)N1Cc2ccccc2N(OC(=O)C(F)(F)F)C1.
What is the InChIKey of (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is LDFPWWCFMMYKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)9(18)20-17-6-16(10(15)19)5-7-3-1-2-4-8(7)17/h1-4H,5-6H2,(H2,15,19).
What are the key properties of (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate?
(3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 289.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2,4-dihydroquinazolin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67973709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).