[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

C20H22FN4O3+ — CID 8681201

IUPAC[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1F
InChIInChI=1S/C20H21FN4O3/c1-24(10-13-7-8-17(28-2)15(21)9-13)12-19-23-16-6-4-3-5-14(16)20(27)25(19)11-18(22)26/h3-9H,10-12H2,1-2H3,(H2,22,26)/p+1
InChIKeyXCKQZRFSBZWXAK-UHFFFAOYSA-O
MW385.42 g/mol
LogP0.24
Rot. Bonds7

About [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (PubChem CID 8681201) has the molecular formula C20H22FN4O3+ and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
PubChem CID8681201
Molecular FormulaC20H22FN4O3+
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1F
InChIInChI=1S/C20H21FN4O3/c1-24(10-13-7-8-17(28-2)15(21)9-13)12-19-23-16-6-4-3-5-14(16)20(27)25(19)11-18(22)26/h3-9H,10-12H2,1-2H3,(H2,22,26)/p+1
InChIKeyXCKQZRFSBZWXAK-UHFFFAOYSA-O
XLogP0.24
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787126
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695677
2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8680424
3-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802774
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium
CID 8804996
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
methyl 2-[2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647693
2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8538765
3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 17447474

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (CID 8681201) is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1F.
What is the InChIKey of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is XCKQZRFSBZWXAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN4O3/c1-24(10-13-7-8-17(28-2)15(21)9-13)12-19-23-16-6-4-3-5-14(16)20(27)25(19)11-18(22)26/h3-9H,10-12H2,1-2H3,(H2,22,26)/p+1.
What are the key properties of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 385.42 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8681201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).