N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide

C25H22N4O4 — CID 135566794

IUPACN-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32)
InChIKeyWWKKOAKRYQQEBT-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.76
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide

N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide (PubChem CID 135566794) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide
PubChem CID135566794
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32)
InChIKeyWWKKOAKRYQQEBT-UHFFFAOYSA-N
XLogP3.76
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide (CID 135566794) is N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide?
The InChIKey is WWKKOAKRYQQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32).
What are the key properties of N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide?
N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide has a molecular weight of 442.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 135566794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).