2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C19H21N3O3S — CID 3181415

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-2-3-10-22-18(24)15-8-4-5-9-16(15)21-19(22)26-13-17(23)20-12-14-7-6-11-25-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,20,23)
InChIKeyJOCBXPQUEOMNCR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.20
Rot. Bonds8

About 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 3181415) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID3181415
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-2-3-10-22-18(24)15-8-4-5-9-16(15)21-19(22)26-13-17(23)20-12-14-7-6-11-25-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,20,23)
InChIKeyJOCBXPQUEOMNCR-UHFFFAOYSA-N
XLogP3.20
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 3181415) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JOCBXPQUEOMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-3-10-22-18(24)15-8-4-5-9-16(15)21-19(22)26-13-17(23)20-12-14-7-6-11-25-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,20,23).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3181415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).