methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate

C22H23N3O5 — CID 45030646

IUPACmethyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O
InChIInChI=1S/C22H23N3O5/c1-3-4-13-24-20(27)16-10-6-8-12-18(16)25(22(24)29)14-19(26)23-17-11-7-5-9-15(17)21(28)30-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyIMVDHAPLFCKOSY-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.39
Rot. Bonds7

About methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate (PubChem CID 45030646) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
PubChem CID45030646
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O
InChIInChI=1S/C22H23N3O5/c1-3-4-13-24-20(27)16-10-6-8-12-18(16)25(22(24)29)14-19(26)23-17-11-7-5-9-15(17)21(28)30-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyIMVDHAPLFCKOSY-UHFFFAOYSA-N
XLogP2.39
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15989158
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15994277
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate (CID 45030646) is methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate is CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O.
What is the InChIKey of methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate?
The InChIKey is IMVDHAPLFCKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-4-13-24-20(27)16-10-6-8-12-18(16)25(22(24)29)14-19(26)23-17-11-7-5-9-15(17)21(28)30-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate has a molecular weight of 409.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 45030646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).