N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide

C23H16N4O4S — CID 175232044

IUPACN-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ncn(C(=O)c4ccc(C#N)cc4)c(=O)c3c2)cc1
InChIInChI=1S/C23H16N4O4S/c1-15-2-9-19(10-3-15)32(30,31)26-18-8-11-21-20(12-18)23(29)27(14-25-21)22(28)17-6-4-16(13-24)5-7-17/h2-12,14,26H,1H3
InChIKeyQFMWQFHJKXVLED-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.07
Rot. Bonds4

About N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide

N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 175232044) has the molecular formula C23H16N4O4S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide
PubChem CID175232044
Molecular FormulaC23H16N4O4S
Molecular Weight444.47 g/mol
Exact Mass444.09
IUPAC NameN-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ncn(C(=O)c4ccc(C#N)cc4)c(=O)c3c2)cc1
InChIInChI=1S/C23H16N4O4S/c1-15-2-9-19(10-3-15)32(30,31)26-18-8-11-21-20(12-18)23(29)27(14-25-21)22(28)17-6-4-16(13-24)5-7-17/h2-12,14,26H,1H3
InChIKeyQFMWQFHJKXVLED-UHFFFAOYSA-N
XLogP3.07
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933132
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-cyano-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316943
N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
CID 67299025

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide (CID 175232044) is N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3ncn(C(=O)c4ccc(C#N)cc4)c(=O)c3c2)cc1.
What is the InChIKey of N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is QFMWQFHJKXVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4S/c1-15-2-9-19(10-3-15)32(30,31)26-18-8-11-21-20(12-18)23(29)27(14-25-21)22(28)17-6-4-16(13-24)5-7-17/h2-12,14,26H,1H3.
What are the key properties of N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide?
N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 444.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanobenzoyl)-4-oxoquinazolin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175232044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).