5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol

C26H22ClFN6O2 — CID 144954554

IUPAC5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1ncc(-c2ccc(O)c(F)c2)c(N)n1
InChIInChI=1S/C16H13ClN2O.C10H9FN4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;11-7-3-5(1-2-8(7)16)6-4-14-10(13)15-9(6)12/h3-10H,2H2,1H3;1-4,16H,(H4,12,13,14,15)
InChIKeyUEYFNSGLMAWUMM-UHFFFAOYSA-N
MW504.95 g/mol
LogP4.75
Rot. Bonds3

About 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol

5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol (PubChem CID 144954554) has the molecular formula C26H22ClFN6O2 and a molecular weight of 504.95 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
PubChem CID144954554
Molecular FormulaC26H22ClFN6O2
Molecular Weight504.95 g/mol
Exact Mass504.15
IUPAC Name5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1ncc(-c2ccc(O)c(F)c2)c(N)n1
InChIInChI=1S/C16H13ClN2O.C10H9FN4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;11-7-3-5(1-2-8(7)16)6-4-14-10(13)15-9(6)12/h3-10H,2H2,1H3;1-4,16H,(H4,12,13,14,15)
InChIKeyUEYFNSGLMAWUMM-UHFFFAOYSA-N
XLogP4.75
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.95
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol with MolForge

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Related Compounds

3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
CID 144954835
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144954490
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
3-[[4-amino-3-(3-fluoro-4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-chloro-2-phenylisoquinolin-1-one
CID 137296364
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-methylsulfonylpyrimidine-2,4-diamine
CID 144543957
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methoxypyrimidin-2-yl)-3-phenylquinazolin-4-one
CID 144954589
2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
CID 144954674
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823
2-[(1S)-1-[[2-amino-5-(furan-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 118494066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol?
The IUPAC name of 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol (CID 144954554) is 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol.
What is the SMILES notation for 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol?
The canonical SMILES for 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol is CCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1ncc(-c2ccc(O)c(F)c2)c(N)n1.
What is the InChIKey of 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol?
The InChIKey is UEYFNSGLMAWUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C10H9FN4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;11-7-3-5(1-2-8(7)16)6-4-14-10(13)15-9(6)12/h3-10H,2H2,1H3;1-4,16H,(H4,12,13,14,15).
What are the key properties of 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol?
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol has a molecular weight of 504.95 g/mol, XLogP of 4.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol is sourced from PubChem (CID 144954554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).