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

C30H30N4O7 — CID 15989158

IUPACmethyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccccc2OC)c(=O)c2ccccc21
InChIInChI=1S/C30H30N4O7/c1-40-25-15-8-3-10-20(25)18-31-26(35)16-9-17-33-28(37)22-12-5-7-14-24(22)34(30(33)39)19-27(36)32-23-13-6-4-11-21(23)29(38)41-2/h3-8,10-15H,9,16-19H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyHIFCJNVCWHIMRT-UHFFFAOYSA-N
MW558.59 g/mol
LogP2.69
Rot. Bonds11

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

methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate (PubChem CID 15989158) has the molecular formula C30H30N4O7 and a molecular weight of 558.59 g/mol. Its IUPAC name is methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
PubChem CID15989158
Molecular FormulaC30H30N4O7
Molecular Weight558.59 g/mol
Exact Mass558.21
IUPAC Namemethyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccccc2OC)c(=O)c2ccccc21
InChIInChI=1S/C30H30N4O7/c1-40-25-15-8-3-10-20(25)18-31-26(35)16-9-17-33-28(37)22-12-5-7-14-24(22)34(30(33)39)19-27(36)32-23-13-6-4-11-21(23)29(38)41-2/h3-8,10-15H,9,16-19H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyHIFCJNVCWHIMRT-UHFFFAOYSA-N
XLogP2.69
TPSA137.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.59
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
CID 3238930
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
methyl 2-[[2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 50925758
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-[(2-chlorophenyl)methyl]-5-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429771
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
N-[(2-chlorophenyl)methyl]-4-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 22429763
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
4-[1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-chlorophenyl)methyl]butanamide
CID 46247660
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate (CID 15989158) is methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccccc2OC)c(=O)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The InChIKey is HIFCJNVCWHIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O7/c1-40-25-15-8-3-10-20(25)18-31-26(35)16-9-17-33-28(37)22-12-5-7-14-24(22)34(30(33)39)19-27(36)32-23-13-6-4-11-21(23)29(38)41-2/h3-8,10-15H,9,16-19H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate has a molecular weight of 558.59 g/mol, XLogP of 2.69, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 15989158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).