2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide

C22H24N4O5 — CID 92638434

IUPAC2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)o1
InChIInChI=1S/C22H24N4O5/c1-13-20(31-14(2)24-13)22(29)26-8-10-30-19(12-26)18-11-16(21(28)23-7-9-27)15-5-3-4-6-17(15)25-18/h3-6,11,19,27H,7-10,12H2,1-2H3,(H,23,28)/t19-/m1/s1
InChIKeyFUQHULNVWPZKBC-LJQANCHMSA-N
MW424.46 g/mol
LogP1.78
Rot. Bonds5

About 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide

2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide (PubChem CID 92638434) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
PubChem CID92638434
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)o1
InChIInChI=1S/C22H24N4O5/c1-13-20(31-14(2)24-13)22(29)26-8-10-30-19(12-26)18-11-16(21(28)23-7-9-27)15-5-3-4-6-17(15)25-18/h3-6,11,19,27H,7-10,12H2,1-2H3,(H,23,28)/t19-/m1/s1
InChIKeyFUQHULNVWPZKBC-LJQANCHMSA-N
XLogP1.78
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 110251984
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
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
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714
N-(2-hydroxyethyl)-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 125006709
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
N-(2-hydroxyethyl)-2-[(3R)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638858

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide (CID 92638434) is 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide is Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)o1.
What is the InChIKey of 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The InChIKey is FUQHULNVWPZKBC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13-20(31-14(2)24-13)22(29)26-8-10-30-19(12-26)18-11-16(21(28)23-7-9-27)15-5-3-4-6-17(15)25-18/h3-6,11,19,27H,7-10,12H2,1-2H3,(H,23,28)/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide?
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 92638434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).