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

C22H24N4O4S — CID 92638200

IUPACN-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1nc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cs1
InChIInChI=1S/C22H24N4O4S/c1-14-24-15(13-31-14)10-21(28)26-7-9-30-20(12-26)19-11-17(22(29)23-6-8-27)16-4-2-3-5-18(16)25-19/h2-5,11,13,20,27H,6-10,12H2,1H3,(H,23,29)/t20-/m1/s1
InChIKeyGIFCPEFPOCVDFY-HXUWFJFHSA-N
MW440.53 g/mol
LogP1.86
Rot. Bonds6

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

N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638200) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638200
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1nc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cs1
InChIInChI=1S/C22H24N4O4S/c1-14-24-15(13-31-14)10-21(28)26-7-9-30-20(12-26)19-11-17(22(29)23-6-8-27)16-4-2-3-5-18(16)25-19/h2-5,11,13,20,27H,6-10,12H2,1H3,(H,23,29)/t20-/m1/s1
InChIKeyGIFCPEFPOCVDFY-HXUWFJFHSA-N
XLogP1.86
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 110251984
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
N-(2-hydroxyethyl)-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 125006709
2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92636722

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide (CID 92638200) is N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide is Cc1nc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is GIFCPEFPOCVDFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-24-15(13-31-14)10-21(28)26-7-9-30-20(12-26)19-11-17(22(29)23-6-8-27)16-4-2-3-5-18(16)25-19/h2-5,11,13,20,27H,6-10,12H2,1H3,(H,23,29)/t20-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).