N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (PubChem CID 42985054) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name	N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
PubChem CID	42985054
Molecular Formula	C24H28N6O3S
Molecular Weight	480.59 g/mol
Exact Mass	480.19
IUPAC Name	N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
SMILES	C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(c3ccco3)N(CC)CC)nnc12
InChI	InChI=1S/C24H28N6O3S/c1-4-13-29-22(32)17-10-7-8-11-18(17)30-23(29)26-27-24(30)34-16-21(31)25-15-19(28(5-2)6-3)20-12-9-14-33-20/h4,7-12,14,19H,1,5-6,13,15-16H2,2-3H3,(H,25,31)
InChIKey	XNLCFNLOSFMSQI-UHFFFAOYSA-N
XLogP	3.11
TPSA	97.67 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (CID 42985054) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(c3ccco3)N(CC)CC)nnc12.

What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The InChIKey is XNLCFNLOSFMSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-4-13-29-22(32)17-10-7-8-11-18(17)30-23(29)26-27-24(30)34-16-21(31)25-15-19(28(5-2)6-3)20-12-9-14-33-20/h4,7-12,14,19H,1,5-6,13,15-16H2,2-3H3,(H,25,31).

What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 42985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).