2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide

C21H19F4N3O2 — CID 69075578

IUPAC2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide
SMILESCC(C)c1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C21H19F4N3O2/c1-12(2)17-26-16-11-14(21(23,24)25)9-10-15(16)18(29)28(17)27-19(30)20(3,22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,27,30)
InChIKeyBHOLSJRZWUBCQE-UHFFFAOYSA-N
MW421.39 g/mol
LogP4.49
Rot. Bonds4

About 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide

2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide (PubChem CID 69075578) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide
PubChem CID69075578
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide
SMILESCC(C)c1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C21H19F4N3O2/c1-12(2)17-26-16-11-14(21(23,24)25)9-10-15(16)18(29)28(17)27-19(30)20(3,22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,27,30)
InChIKeyBHOLSJRZWUBCQE-UHFFFAOYSA-N
XLogP4.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
2-[3-benzyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]-3-methylbutanamide
CID 57435298
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037
N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7237096
1-methyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42657371
methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
CID 23255846
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 73317107
2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264403
N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide
CID 70838419
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide?
The IUPAC name of 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide (CID 69075578) is 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide?
The canonical SMILES for 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide is CC(C)c1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)C(C)(F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide?
The InChIKey is BHOLSJRZWUBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-12(2)17-26-16-11-14(21(23,24)25)9-10-15(16)18(29)28(17)27-19(30)20(3,22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,27,30).
What are the key properties of 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide?
2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide has a molecular weight of 421.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 69075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).