N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride

C23H27ClN6O2S — CID 126479090

IUPACN-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
SMILESCl.O=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)NCc1ccco1
InChIInChI=1S/C23H26N6O2S.ClH/c30-21(24-15-17-7-6-14-31-17)16-32-23-25-19-9-3-2-8-18(19)22-26-20(27-29(22)23)10-13-28-11-4-1-5-12-28;/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,24,30);1H
InChIKeyKHLKFWHCRFCCJE-UHFFFAOYSA-N
MW487.03 g/mol
LogP3.73
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride

N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride (PubChem CID 126479090) has the molecular formula C23H27ClN6O2S and a molecular weight of 487.03 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
PubChem CID126479090
Molecular FormulaC23H27ClN6O2S
Molecular Weight487.03 g/mol
Exact Mass486.16
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
SMILESCl.O=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)NCc1ccco1
InChIInChI=1S/C23H26N6O2S.ClH/c30-21(24-15-17-7-6-14-31-17)16-32-23-25-19-9-3-2-8-18(19)22-26-20(27-29(22)23)10-13-28-11-4-1-5-12-28;/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,24,30);1H
InChIKeyKHLKFWHCRFCCJE-UHFFFAOYSA-N
XLogP3.73
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride with MolForge

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Related Compounds

1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
CID 4075040
N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 126479086
N-(furan-2-ylmethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2585294
N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 71907012
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 30548546
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1153720

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride (CID 126479090) is N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride is Cl.O=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride?
The InChIKey is KHLKFWHCRFCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S.ClH/c30-21(24-15-17-7-6-14-31-17)16-32-23-25-19-9-3-2-8-18(19)22-26-20(27-29(22)23)10-13-28-11-4-1-5-12-28;/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,24,30);1H.
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride?
N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride has a molecular weight of 487.03 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 126479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).