N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C17H18F3N3O2 — CID 7998928

IUPACN-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H18F3N3O2/c1-11(12-6-7-12)23(9-17(18,19)20)15(24)8-22-10-21-14-5-3-2-4-13(14)16(22)25/h2-5,10-12H,6-9H2,1H3/t11-/m1/s1
InChIKeyJRFSSEXVIALMQV-LLVKDONJSA-N
MW353.34 g/mol
LogP2.59
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7998928) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7998928
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H18F3N3O2/c1-11(12-6-7-12)23(9-17(18,19)20)15(24)8-22-10-21-14-5-3-2-4-13(14)16(22)25/h2-5,10-12H,6-9H2,1H3/t11-/m1/s1
InChIKeyJRFSSEXVIALMQV-LLVKDONJSA-N
XLogP2.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775243
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711510
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 162888966
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 84993885
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 71897909

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 7998928) is N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JRFSSEXVIALMQV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11(12-6-7-12)23(9-17(18,19)20)15(24)8-22-10-21-14-5-3-2-4-13(14)16(22)25/h2-5,10-12H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7998928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).