3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide

C19H21N3O6S — CID 137123444

IUPAC3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCCc1c(O)cc(O)c2c(=O)[nH]c(-c3cc(S(N)(=O)=O)ccc3OCC)nc12
InChIInChI=1S/C19H21N3O6S/c1-3-5-11-13(23)9-14(24)16-17(11)21-18(22-19(16)25)12-8-10(29(20,26)27)6-7-15(12)28-4-2/h6-9,23-24H,3-5H2,1-2H3,(H2,20,26,27)(H,21,22,25)
InChIKeyLFUJZIHGERLWEO-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.00
Rot. Bonds6

About 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide

3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide (PubChem CID 137123444) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide
PubChem CID137123444
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCCc1c(O)cc(O)c2c(=O)[nH]c(-c3cc(S(N)(=O)=O)ccc3OCC)nc12
InChIInChI=1S/C19H21N3O6S/c1-3-5-11-13(23)9-14(24)16-17(11)21-18(22-19(16)25)12-8-10(29(20,26)27)6-7-15(12)28-4-2/h6-9,23-24H,3-5H2,1-2H3,(H2,20,26,27)(H,21,22,25)
InChIKeyLFUJZIHGERLWEO-UHFFFAOYSA-N
XLogP2.00
TPSA155.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135499879
2-(2-ethoxy-5-methylsulfonylphenyl)-5-methyl-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 161119515
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 136862437
ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate
CID 135484055
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522
5-[2-ethoxy-5-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969619
2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonyl-methylamino]ethyl acetate
CID 136618789
ethyl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 135529005
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 135444791
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
3-[4-butanimidoyl-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-4-propoxybenzenesulfonamide
CID 143550859

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide (CID 137123444) is 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide is CCCc1c(O)cc(O)c2c(=O)[nH]c(-c3cc(S(N)(=O)=O)ccc3OCC)nc12.
What is the InChIKey of 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is LFUJZIHGERLWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-3-5-11-13(23)9-14(24)16-17(11)21-18(22-19(16)25)12-8-10(29(20,26)27)6-7-15(12)28-4-2/h6-9,23-24H,3-5H2,1-2H3,(H2,20,26,27)(H,21,22,25).
What are the key properties of 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide?
3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 137123444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).