4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide

C19H17N5O2S — CID 3379244

IUPAC4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
InChIInChI=1S/C19H17N5O2S/c20-18(26)12-5-7-13(8-6-12)22-17(25)11-27-19-23-15-4-2-1-3-14(15)16-9-10-21-24(16)19/h1-8,10,16H,9,11H2,(H2,20,26)(H,22,25)
InChIKeyUOIBKMXCQONFQI-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.89
Rot. Bonds4

About 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide

4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 3379244) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide
PubChem CID3379244
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
InChIInChI=1S/C19H17N5O2S/c20-18(26)12-5-7-13(8-6-12)22-17(25)11-27-19-23-15-4-2-1-3-14(15)16-9-10-21-24(16)19/h1-8,10,16H,9,11H2,(H2,20,26)(H,22,25)
InChIKeyUOIBKMXCQONFQI-UHFFFAOYSA-N
XLogP2.89
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide (CID 3379244) is 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1.
What is the InChIKey of 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is UOIBKMXCQONFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-18(26)12-5-7-13(8-6-12)22-17(25)11-27-19-23-15-4-2-1-3-14(15)16-9-10-21-24(16)19/h1-8,10,16H,9,11H2,(H2,20,26)(H,22,25).
What are the key properties of 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide?
4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 379.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 3379244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).