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

C22H20N6O3S — CID 92638980

IUPAC2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)nc2ccccc12
InChIInChI=1S/C22H20N6O3S/c29-20(14-28-8-3-6-24-28)27-9-10-31-19(13-27)18-12-16(15-4-1-2-5-17(15)25-18)21(30)26-22-23-7-11-32-22/h1-8,11-12,19H,9-10,13-14H2,(H,23,26,30)/t19-/m1/s1
InChIKeyWCXHWNGHXDYTQR-LJQANCHMSA-N
MW448.51 g/mol
LogP2.74
Rot. Bonds5

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

2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 92638980) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID92638980
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)nc2ccccc12
InChIInChI=1S/C22H20N6O3S/c29-20(14-28-8-3-6-24-28)27-9-10-31-19(13-27)18-12-16(15-4-1-2-5-17(15)25-18)21(30)26-22-23-7-11-32-22/h1-8,11-12,19H,9-10,13-14H2,(H,23,26,30)/t19-/m1/s1
InChIKeyWCXHWNGHXDYTQR-LJQANCHMSA-N
XLogP2.74
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92636722
2-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92639289
2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638362
2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638333
2-[(2R)-4-cycloheptylmorpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92637050
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
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
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
2-[1-(3-amino-3-oxopropyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 110251586
2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 110253812

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 92638980) is 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is WCXHWNGHXDYTQR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N6O3S/c29-20(14-28-8-3-6-24-28)27-9-10-31-19(13-27)18-12-16(15-4-1-2-5-17(15)25-18)21(30)26-22-23-7-11-32-22/h1-8,11-12,19H,9-10,13-14H2,(H,23,26,30)/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92638980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).