2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

C17H16N4O2S — CID 3936405

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)NCc1ccco1
InChIInChI=1S/C17H16N4O2S/c22-16(18-10-12-4-3-9-23-12)11-24-17-20-14-6-2-1-5-13(14)15-7-8-19-21(15)17/h1-6,8-9,15H,7,10-11H2,(H,18,22)
InChIKeyJVXQRXGWYHOMJM-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.06
Rot. Bonds4

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3936405) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3936405
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)NCc1ccco1
InChIInChI=1S/C17H16N4O2S/c22-16(18-10-12-4-3-9-23-12)11-24-17-20-14-6-2-1-5-13(14)15-7-8-19-21(15)17/h1-6,8-9,15H,7,10-11H2,(H,18,22)
InChIKeyJVXQRXGWYHOMJM-UHFFFAOYSA-N
XLogP3.06
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
Ethyl [(3-{6-[(2-furylmethyl)amino]-6-oxohexyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
CID 3245433
N-Furan-2-ylmethyl-2-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644437
2-Benzylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 652975
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 864523
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2085531
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2379552
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 2998043
3-(Furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 2999945
2-(3-Butyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 3181415
N-(2-furylmethyl)-2-{5-[(4-methylbenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}acetamide
CID 3237176

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 3936405) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSC1=Nc2ccccc2C2CC=NN12)NCc1ccco1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JVXQRXGWYHOMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(18-10-12-4-3-9-23-12)11-24-17-20-14-6-2-1-5-13(14)15-7-8-19-21(15)17/h1-6,8-9,15H,7,10-11H2,(H,18,22).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3936405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).