2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one

C28H20FN7O — CID 155191467

IUPAC2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one
SMILESCC(Nc1ncnc2cccc(F)c12)c1nc2cccc(-c3cncnc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H20FN7O/c1-17(34-26-25-21(29)10-6-11-22(25)32-16-33-26)27-35-23-12-5-9-20(18-13-30-15-31-14-18)24(23)28(37)36(27)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,33,34)
InChIKeyBGRFPXLVAALXKV-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.10
Rot. Bonds5

About 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one

2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one (PubChem CID 155191467) has the molecular formula C28H20FN7O and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one
PubChem CID155191467
Molecular FormulaC28H20FN7O
Molecular Weight489.51 g/mol
Exact Mass489.17
IUPAC Name2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one
SMILESCC(Nc1ncnc2cccc(F)c12)c1nc2cccc(-c3cncnc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H20FN7O/c1-17(34-26-25-21(29)10-6-11-22(25)32-16-33-26)27-35-23-12-5-9-20(18-13-30-15-31-14-18)24(23)28(37)36(27)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,33,34)
InChIKeyBGRFPXLVAALXKV-UHFFFAOYSA-N
XLogP5.10
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-(2-aminopyrimidin-5-yl)-3-[1-[(5-fluoroquinazolin-4-yl)amino]-2-methylpropyl]-2-phenylisoquinolin-1-one
CID 155191435
5-chloro-2-[1-[(5-fluoroquinazolin-4-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 155191460
2-[(1S)-1-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-(2-methylpyrimidin-5-yl)-3-phenylquinazolin-4-one
CID 71242394
3-(4-chlorophenyl)-5-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043983
2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
CID 144954610
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
2-amino-4-[1-[5-(4-chlorophenyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493967
5-chloro-2-[(1R)-1-[[5-(3-methylsulfonylphenyl)pyrimidin-4-yl]amino]ethyl]-3-phenylquinazolin-4-one
CID 118493870
2-amino-4-[[(1S)-1-[5-[5-(difluoromethoxy)-3-pyridinyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 90290967
2-[1-[(2-amino-5-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 118493648
2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 71291808
N-[5-[2-[1-[(2-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]-3-pyridinyl]-N-methylmethanesulfonamide
CID 118494016

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one?
The IUPAC name of 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one (CID 155191467) is 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one.
What is the SMILES notation for 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one?
The canonical SMILES for 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one is CC(Nc1ncnc2cccc(F)c12)c1nc2cccc(-c3cncnc3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one?
The InChIKey is BGRFPXLVAALXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN7O/c1-17(34-26-25-21(29)10-6-11-22(25)32-16-33-26)27-35-23-12-5-9-20(18-13-30-15-31-14-18)24(23)28(37)36(27)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,33,34).
What are the key properties of 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one?
2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one has a molecular weight of 489.51 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one is sourced from PubChem (CID 155191467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).