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

C20H20N4O4S — CID 92636722

IUPAC2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCOCC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1
InChIInChI=1S/C20H20N4O4S/c1-27-12-18(25)24-7-8-28-17(11-24)16-10-14(13-4-2-3-5-15(13)22-16)19(26)23-20-21-6-9-29-20/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23,26)/t17-/m1/s1
InChIKeyDIJATKPYOJUXBI-QGZVFWFLSA-N
MW412.47 g/mol
LogP2.49
Rot. Bonds5

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

2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 92636722) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID92636722
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCOCC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1
InChIInChI=1S/C20H20N4O4S/c1-27-12-18(25)24-7-8-28-17(11-24)16-10-14(13-4-2-3-5-15(13)22-16)19(26)23-20-21-6-9-29-20/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23,26)/t17-/m1/s1
InChIKeyDIJATKPYOJUXBI-QGZVFWFLSA-N
XLogP2.49
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92639289
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638980
2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638362
2-[(2R)-4-cycloheptylmorpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92637050
2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638333
2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638425
2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92637041
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
2-[(3S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638791
2-[(3S)-1-(3-amino-3-oxopropyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638579

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 92636722) is 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is COCC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1.
What is the InChIKey of 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is DIJATKPYOJUXBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-27-12-18(25)24-7-8-28-17(11-24)16-10-14(13-4-2-3-5-15(13)22-16)19(26)23-20-21-6-9-29-20/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23,26)/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.49, 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-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92636722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).