2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one

C25H26N6O3S — CID 23910304

IUPAC2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(N)nn1C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H26N6O3S/c1-17-13-22(26)28-31(17)23(32)16-35-25-27-21-8-7-19(29-9-11-34-12-10-29)14-20(21)24(33)30(25)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H2,26,28)
InChIKeyXVGXEGWLWIKNIR-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one

2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one (PubChem CID 23910304) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one
PubChem CID23910304
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(N)nn1C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H26N6O3S/c1-17-13-22(26)28-31(17)23(32)16-35-25-27-21-8-7-19(29-9-11-34-12-10-29)14-20(21)24(33)30(25)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H2,26,28)
InChIKeyXVGXEGWLWIKNIR-UHFFFAOYSA-N
XLogP2.80
TPSA108.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one
CID 5096012
N-(4-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3374072
3-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 3872635
N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46370210
3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
CID 4103886
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
CID 3374219
3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 5096014
2-[(2-chlorophenyl)methylsulfanyl]-6-morpholin-4-yl-3-(2-phenylethyl)quinazolin-4-one
CID 4299251
2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylacetonitrile
CID 3244121
N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 22589719
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylquinazolin-4-one
CID 4109718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one (CID 23910304) is 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one is Cc1cc(N)nn1C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one?
The InChIKey is XVGXEGWLWIKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-17-13-22(26)28-31(17)23(32)16-35-25-27-21-8-7-19(29-9-11-34-12-10-29)14-20(21)24(33)30(25)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H2,26,28).
What are the key properties of 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one?
2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one has a molecular weight of 490.59 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 23910304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).