2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C19H17N5O3S — CID 5006560

IUPAC2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)n[nH]1
InChIInChI=1S/C19H17N5O3S/c1-12-9-16(23-22-12)21-17(25)11-28-19-20-15-7-3-2-6-14(15)18(26)24(19)10-13-5-4-8-27-13/h2-9H,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyGUMVCDWMERLRNA-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.80
Rot. Bonds6

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 5006560) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID5006560
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)n[nH]1
InChIInChI=1S/C19H17N5O3S/c1-12-9-16(23-22-12)21-17(25)11-28-19-20-15-7-3-2-6-14(15)18(26)24(19)10-13-5-4-8-27-13/h2-9H,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyGUMVCDWMERLRNA-UHFFFAOYSA-N
XLogP2.80
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3582213
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CID 45963769
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CID 45963808
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CID 45964006
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CID 135512621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 5006560) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)n[nH]1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is GUMVCDWMERLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-12-9-16(23-22-12)21-17(25)11-28-19-20-15-7-3-2-6-14(15)18(26)24(19)10-13-5-4-8-27-13/h2-9H,10-11H2,1H3,(H2,21,22,23,25).
What are the key properties of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 395.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 5006560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).