2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide

C22H18N4OS — CID 3406241

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-21(24-18-11-5-7-15-6-1-2-8-16(15)18)14-28-22-25-19-10-4-3-9-17(19)20-12-13-23-26(20)22/h1-11,13,20H,12,14H2,(H,24,27)
InChIKeyAZQCKBHKDCYAQT-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.95
Rot. Bonds3

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide (PubChem CID 3406241) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide
PubChem CID3406241
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-21(24-18-11-5-7-15-6-1-2-8-16(15)18)14-28-22-25-19-10-4-3-9-17(19)20-12-13-23-26(20)22/h1-11,13,20H,12,14H2,(H,24,27)
InChIKeyAZQCKBHKDCYAQT-UHFFFAOYSA-N
XLogP4.95
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(10bR)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 7831079
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3270432
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 3887874
dimethyl 5-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3622930
butyl 4-[[2-[[(10bS)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetyl]amino]benzoate
CID 40784995
4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)benzonitrile
CID 4876652
(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 929511
4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)-7,8-dimethylchromen-2-one
CID 3594501
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 4745060
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6492812
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 42388441

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide (CID 3406241) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide is O=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1cccc2ccccc12.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The InChIKey is AZQCKBHKDCYAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(24-18-11-5-7-15-6-1-2-8-16(15)18)14-28-22-25-19-10-4-3-9-17(19)20-12-13-23-26(20)22/h1-11,13,20H,12,14H2,(H,24,27).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide has a molecular weight of 386.48 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).