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

C22H24N4O4S — CID 92638455

IUPACN-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1
InChIInChI=1S/C22H24N4O4S/c1-14-20(31-13-23-14)22(29)26-8-10-30-19(12-26)18-11-16(21(28)25(2)7-9-27)15-5-3-4-6-17(15)24-18/h3-6,11,13,19,27H,7-10,12H2,1-2H3/t19-/m1/s1
InChIKeyBUAHNWPCAWNDPC-LJQANCHMSA-N
MW440.53 g/mol
LogP2.28
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638455) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638455
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1
InChIInChI=1S/C22H24N4O4S/c1-14-20(31-13-23-14)22(29)26-8-10-30-19(12-26)18-11-16(21(28)25(2)7-9-27)15-5-3-4-6-17(15)24-18/h3-6,11,13,19,27H,7-10,12H2,1-2H3/t19-/m1/s1
InChIKeyBUAHNWPCAWNDPC-LJQANCHMSA-N
XLogP2.28
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638296
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 124994060
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92639051
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168529
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92639254
N,N-dimethyl-2-[4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251734
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 92638455) is N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is BUAHNWPCAWNDPC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-20(31-13-23-14)22(29)26-8-10-30-19(12-26)18-11-16(21(28)25(2)7-9-27)15-5-3-4-6-17(15)24-18/h3-6,11,13,19,27H,7-10,12H2,1-2H3/t19-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).