[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

C19H19F2N4O2+ — CID 8688250

IUPAC[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)8-15(13)21)23-9-18-24-16-5-3-2-4-14(16)19(27)25(18)10-17(22)26/h2-8,11,23H,9-10H2,1H3,(H2,22,26)/p+1/t11-/m0/s1
InChIKeyXMUWILWURBFOLG-NSHDSACASA-O
MW373.38 g/mol
LogP0.98
Rot. Bonds6

About [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 8688250) has the molecular formula C19H19F2N4O2+ and a molecular weight of 373.38 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID8688250
Molecular FormulaC19H19F2N4O2+
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)8-15(13)21)23-9-18-24-16-5-3-2-4-14(16)19(27)25(18)10-17(22)26/h2-8,11,23H,9-10H2,1H3,(H2,22,26)/p+1/t11-/m0/s1
InChIKeyXMUWILWURBFOLG-NSHDSACASA-O
XLogP0.98
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium with MolForge

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Related Compounds

[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]azanium
CID 8998491
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]azanium
CID 7614296
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 8681201
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329684
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
CID 4253765
2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8538765
2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565414

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (CID 8688250) is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(F)cc1F.
What is the InChIKey of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is XMUWILWURBFOLG-NSHDSACASA-O. The full InChI is InChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)8-15(13)21)23-9-18-24-16-5-3-2-4-14(16)19(27)25(18)10-17(22)26/h2-8,11,23H,9-10H2,1H3,(H2,22,26)/p+1/t11-/m0/s1.
What are the key properties of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 373.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 8688250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).