2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C21H23N5O3S — CID 92638362

About 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 92638362) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 92638362
• Molecular Formula: C21H23N5O3S
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.15
• IUPAC Name: 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• SMILES: CN(C)C(=O)CN1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1
• InChI: InChI=1S/C21H23N5O3S/c1-25(2)19(27)13-26-8-9-29-18(12-26)17-11-15(14-5-3-4-6-16(14)23-17)20(28)24-21-22-7-10-30-21/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,22,24,28)/t18-/m1/s1
• InChIKey: IYCXYKSXONKCLF-GOSISDBHSA-N
• XLogP: 2.41
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 92638362) is 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is CN(C)C(=O)CN1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1.

What is the InChIKey of 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The InChIKey is IYCXYKSXONKCLF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-25(2)19(27)13-26-8-9-29-18(12-26)17-11-15(14-5-3-4-6-16(14)23-17)20(28)24-21-22-7-10-30-21/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,22,24,28)/t18-/m1/s1.

What are the key properties of 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92638362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).