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

C24H18N4O3S — CID 78322438

IUPACN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H18N4O3S/c1-32(30,31)27-19-5-4-6-20(15-19)28-23(14-13-17-9-11-18(16-25)12-10-17)26-22-8-3-2-7-21(22)24(28)29/h2-15,27H,1H3/b14-13+
InChIKeyOJXPVVMEZOBFSG-BUHFOSPRSA-N
MW442.50 g/mol
LogP3.80
Rot. Bonds5

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

N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide (PubChem CID 78322438) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
PubChem CID78322438
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H18N4O3S/c1-32(30,31)27-19-5-4-6-20(15-19)28-23(14-13-17-9-11-18(16-25)12-10-17)26-22-8-3-2-7-21(22)24(28)29/h2-15,27H,1H3/b14-13+
InChIKeyOJXPVVMEZOBFSG-BUHFOSPRSA-N
XLogP3.80
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-Cyano-3-[(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}propane-1-Sulfonamide
CID 60197316
N-(4-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)benzenesulfonamide
CID 7161306
N-[3-(8-cyano-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)phenyl]methanesulfonamide
CID 71819143
2-fluoro-N-(2-fluoro-5-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)benzenesulfonamide
CID 16800083
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161309
4-fluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161315
3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
CID 78322133
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
CID 78322134
4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile
CID 78322437
N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
CID 78322439

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide (CID 78322438) is N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide is CS(=O)(=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]methanesulfonamide?
The InChIKey is OJXPVVMEZOBFSG-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-32(30,31)27-19-5-4-6-20(15-19)28-23(14-13-17-9-11-18(16-25)12-10-17)26-22-8-3-2-7-21(22)24(28)29/h2-15,27H,1H3/b14-13+.
What are the key properties of N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]methanesulfonamide is sourced from PubChem (CID 78322438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).