3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C20H19F3N4O3 — CID 55613906

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCc3cccnc3OCC(F)(F)F)cnc12
InChIInChI=1S/C20H19F3N4O3/c1-13-4-2-6-15-17(13)26-12-27(19(15)29)9-7-16(28)25-10-14-5-3-8-24-18(14)30-11-20(21,22)23/h2-6,8,12H,7,9-11H2,1H3,(H,25,28)
InChIKeyCNVZCWFZFBTKNO-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.75
Rot. Bonds7

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55613906) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55613906
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCc3cccnc3OCC(F)(F)F)cnc12
InChIInChI=1S/C20H19F3N4O3/c1-13-4-2-6-15-17(13)26-12-27(19(15)29)9-7-16(28)25-10-14-5-3-8-24-18(14)30-11-20(21,22)23/h2-6,8,12H,7,9-11H2,1H3,(H,25,28)
InChIKeyCNVZCWFZFBTKNO-UHFFFAOYSA-N
XLogP2.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 55613906) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is Cc1cccc2c(=O)n(CCC(=O)NCc3cccnc3OCC(F)(F)F)cnc12.
What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is CNVZCWFZFBTKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-13-4-2-6-15-17(13)26-12-27(19(15)29)9-7-16(28)25-10-14-5-3-8-24-18(14)30-11-20(21,22)23/h2-6,8,12H,7,9-11H2,1H3,(H,25,28).
What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 420.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55613906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).