acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone

C48H62N8O7S2 — CID 143089429

About acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone

acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 143089429) has the molecular formula C48H62N8O7S2 and a molecular weight of 927.21 g/mol. Its IUPAC name is acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

• Compound Name: acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone
• PubChem CID: 143089429
• Molecular Formula: C48H62N8O7S2
• Molecular Weight: 927.21 g/mol
• Exact Mass: 926.42
• IUPAC Name: acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone
• SMILES: CC.CC=O.CNc1nc(-c2cc(OC3CC(C(C)=O)N(C)C3)c3ccc(OC)cc3n2)cs1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)C)n3)nc2c1
• InChI: InChI=1S/C23H28N4O3S.C21H24N4O3S.C2H4O.C2H6/c1-13(2)24-23-26-20(12-31-23)19-10-22(17-7-6-15(29-5)8-18(17)25-19)30-16-9-21(14(3)28)27(4)11-16;1-12(26)19-8-14(10-25(19)3)28-20-9-17(18-11-29-21(22-2)24-18)23-16-7-13(27-4)5-6-15(16)20;1-2-3;1-2/h6-8,10,12-13,16,21H,9,11H2,1-5H3,(H,24,26);5-7,9,11,14,19H,8,10H2,1-4H3,(H,22,24);2H,1H3;1-2H3
• InChIKey: QDXDNFXVBBMQMP-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 170.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.21
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?

The IUPAC name of acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone (CID 143089429) is acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone.

What is the SMILES notation for acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?

The canonical SMILES for acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone is CC.CC=O.CNc1nc(-c2cc(OC3CC(C(C)=O)N(C)C3)c3ccc(OC)cc3n2)cs1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)C)n3)nc2c1.

What is the InChIKey of acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?

The InChIKey is QDXDNFXVBBMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S.C21H24N4O3S.C2H4O.C2H6/c1-13(2)24-23-26-20(12-31-23)19-10-22(17-7-6-15(29-5)8-18(17)25-19)30-16-9-21(14(3)28)27(4)11-16;1-12(26)19-8-14(10-25(19)3)28-20-9-17(18-11-29-21(22-2)24-18)23-16-7-13(27-4)5-6-15(16)20;1-2-3;1-2/h6-8,10,12-13,16,21H,9,11H2,1-5H3,(H,24,26);5-7,9,11,14,19H,8,10H2,1-4H3,(H,22,24);2H,1H3;1-2H3.

What are the key properties of acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?

acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 927.21 g/mol, XLogP of 8.91, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;ethane;1-[4-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 143089429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).