2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide

C25H24N4O4S — CID 159742986

IUPAC2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(CC(=O)CCc4cccnc4)cc3)cc2c(=O)n1C
InChIInChI=1S/C25H24N4O4S/c1-17-27-24-12-11-22(15-23(24)25(31)29(17)2)34(32,33)28-20-8-5-18(6-9-20)14-21(30)10-7-19-4-3-13-26-16-19/h3-6,8-9,11-13,15-16,28H,7,10,14H2,1-2H3
InChIKeyNCRPUQMZABPEKX-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.18
Rot. Bonds8

About 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide

2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide (PubChem CID 159742986) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
PubChem CID159742986
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(CC(=O)CCc4cccnc4)cc3)cc2c(=O)n1C
InChIInChI=1S/C25H24N4O4S/c1-17-27-24-12-11-22(15-23(24)25(31)29(17)2)34(32,33)28-20-8-5-18(6-9-20)14-21(30)10-7-19-4-3-13-26-16-19/h3-6,8-9,11-13,15-16,28H,7,10,14H2,1-2H3
InChIKeyNCRPUQMZABPEKX-UHFFFAOYSA-N
XLogP3.18
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
CID 149385041
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 157458325
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
CID 123402793
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
CID 105109905

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide?
The IUPAC name of 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide (CID 159742986) is 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide?
The canonical SMILES for 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3ccc(CC(=O)CCc4cccnc4)cc3)cc2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide?
The InChIKey is NCRPUQMZABPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-27-24-12-11-22(15-23(24)25(31)29(17)2)34(32,33)28-20-8-5-18(6-9-20)14-21(30)10-7-19-4-3-13-26-16-19/h3-6,8-9,11-13,15-16,28H,7,10,14H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide?
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide has a molecular weight of 476.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide is sourced from PubChem (CID 159742986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).