N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide

C19H13ClN4O3S — CID 38112602

IUPACN-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2c2ccnn12)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H13ClN4O3S/c20-11-1-3-13-14(7-11)23-19(24-15(13)5-6-21-24)28-9-18(25)22-12-2-4-16-17(8-12)27-10-26-16/h1-8H,9-10H2,(H,22,25)
InChIKeyAWZAJCGKBMUDHE-UHFFFAOYSA-N
MW412.86 g/mol
LogP4.00
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide (PubChem CID 38112602) has the molecular formula C19H13ClN4O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide
PubChem CID38112602
Molecular FormulaC19H13ClN4O3S
Molecular Weight412.86 g/mol
Exact Mass412.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2c2ccnn12)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H13ClN4O3S/c20-11-1-3-13-14(7-11)23-19(24-15(13)5-6-21-24)28-9-18(25)22-12-2-4-16-17(8-12)27-10-26-16/h1-8H,9-10H2,(H,22,25)
InChIKeyAWZAJCGKBMUDHE-UHFFFAOYSA-N
XLogP4.00
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[1-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 43996496
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CID 40568593
N-(1,3-benzodioxol-5-yl)-2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 8642901
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2121911
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CID 2575529
N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2309170
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
2-[1-amino-5-(4-chlorophenyl)pyrrol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
CID 35138401
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide (CID 38112602) is N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide is O=C(CSc1nc2cc(Cl)ccc2c2ccnn12)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide?
The InChIKey is AWZAJCGKBMUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3S/c20-11-1-3-13-14(7-11)23-19(24-15(13)5-6-21-24)28-9-18(25)22-12-2-4-16-17(8-12)27-10-26-16/h1-8H,9-10H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide has a molecular weight of 412.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(8-chloropyrazolo[1,5-c]quinazolin-5-yl)sulfanylacetamide is sourced from PubChem (CID 38112602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).