2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

About 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50774672) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name	2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID	50774672
Molecular Formula	C26H28N6O4
Molecular Weight	488.55 g/mol
Exact Mass	488.22
IUPAC Name	2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILES	C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3CC)nc12
InChI	InChI=1S/C26H28N6O4/c1-5-13-30-24(35)19-12-11-18(23(34)27-16(3)4)14-21(19)32-25(30)29-31(26(32)36)15-22(33)28-20-10-8-7-9-17(20)6-2/h5,7-12,14,16H,1,6,13,15H2,2-4H3,(H,27,34)(H,28,33)
InChIKey	BSHKJEOQZAHWHT-UHFFFAOYSA-N
XLogP	2.34
TPSA	119.50 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The IUPAC name of 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50774672) is 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

What is the SMILES notation for 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The canonical SMILES for 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3CC)nc12.

What is the InChIKey of 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The InChIKey is BSHKJEOQZAHWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-5-13-30-24(35)19-12-11-18(23(34)27-16(3)4)14-21(19)32-25(30)29-31(26(32)36)15-22(33)28-20-10-8-7-9-17(20)6-2/h5,7-12,14,16H,1,6,13,15H2,2-4H3,(H,27,34)(H,28,33).

What are the key properties of 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-ethylanilino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50774672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).