methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate

C23H18N2O4 — CID 14442114

IUPACmethyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C23H18N2O4/c1-29-22(27)17-10-7-11-18(14-17)25-20-13-6-5-12-19(20)21(26)24(23(25)28)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyXYCILAGNHIWZRO-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.99
Rot. Bonds4

About methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate

methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate (PubChem CID 14442114) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate
PubChem CID14442114
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C23H18N2O4/c1-29-22(27)17-10-7-11-18(14-17)25-20-13-6-5-12-19(20)21(26)24(23(25)28)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyXYCILAGNHIWZRO-UHFFFAOYSA-N
XLogP2.99
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate?
The IUPAC name of methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate (CID 14442114) is methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate?
The canonical SMILES for methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate is COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1.
What is the InChIKey of methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate?
The InChIKey is XYCILAGNHIWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-22(27)17-10-7-11-18(14-17)25-20-13-6-5-12-19(20)21(26)24(23(25)28)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3.
What are the key properties of methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate?
methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate has a molecular weight of 386.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-benzyl-2,4-dioxoquinazolin-1-yl)benzoate is sourced from PubChem (CID 14442114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).