N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide

C10H7F3N4O3 — CID 87986445

IUPACN-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide
SMILESNn1c(=O)[nH]c2ccc(NC(=O)C(F)(F)F)cc2c1=O
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)8(19)15-4-1-2-6-5(3-4)7(18)17(14)9(20)16-6/h1-3H,14H2,(H,15,19)(H,16,20)
InChIKeyDQDGBQKRAQMIRK-UHFFFAOYSA-N
MW288.19 g/mol
LogP-0.10
Rot. Bonds1

About N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide

N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide (PubChem CID 87986445) has the molecular formula C10H7F3N4O3 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide
PubChem CID87986445
Molecular FormulaC10H7F3N4O3
Molecular Weight288.19 g/mol
Exact Mass288.05
IUPAC NameN-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide
SMILESNn1c(=O)[nH]c2ccc(NC(=O)C(F)(F)F)cc2c1=O
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)8(19)15-4-1-2-6-5(3-4)7(18)17(14)9(20)16-6/h1-3H,14H2,(H,15,19)(H,16,20)
InChIKeyDQDGBQKRAQMIRK-UHFFFAOYSA-N
XLogP-0.10
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide (CID 87986445) is N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide is Nn1c(=O)[nH]c2ccc(NC(=O)C(F)(F)F)cc2c1=O.
What is the InChIKey of N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide?
The InChIKey is DQDGBQKRAQMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O3/c11-10(12,13)8(19)15-4-1-2-6-5(3-4)7(18)17(14)9(20)16-6/h1-3H,14H2,(H,15,19)(H,16,20).
What are the key properties of N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide?
N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide has a molecular weight of 288.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dioxo-1H-quinazolin-6-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87986445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).