N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

C25H18N4O2 — CID 78322439

IUPACN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H18N4O2/c1-17(30)27-20-5-4-6-21(15-20)29-24(14-13-18-9-11-19(16-26)12-10-18)28-23-8-3-2-7-22(23)25(29)31/h2-15H,1H3,(H,27,30)/b14-13+
InChIKeyFYUDNAJOMUEEKO-BUHFOSPRSA-N
MW406.45 g/mol
LogP4.39
Rot. Bonds4

About N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 78322439) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
PubChem CID78322439
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC NameN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H18N4O2/c1-17(30)27-20-5-4-6-21(15-20)29-24(14-13-18-9-11-19(16-26)12-10-18)28-23-8-3-2-7-22(23)25(29)31/h2-15H,1H3,(H,27,30)/b14-13+
InChIKeyFYUDNAJOMUEEKO-BUHFOSPRSA-N
XLogP4.39
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (CID 78322439) is N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is FYUDNAJOMUEEKO-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-17(30)27-20-5-4-6-21(15-20)29-24(14-13-18-9-11-19(16-26)12-10-18)28-23-8-3-2-7-22(23)25(29)31/h2-15H,1H3,(H,27,30)/b14-13+.
What are the key properties of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 78322439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).