2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide

C22H25N5O3 — CID 92638963

IUPAC2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)c1nccn1CC(=O)N1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1
InChIInChI=1S/C22H25N5O3/c1-14(2)22-24-7-8-27(22)13-20(28)26-9-10-30-19(12-26)18-11-16(21(23)29)15-5-3-4-6-17(15)25-18/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H2,23,29)/t19-/m0/s1
InChIKeyGSDAMRKXOHBIOV-IBGZPJMESA-N
MW407.47 g/mol
LogP2.25
Rot. Bonds5

About 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide

2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638963) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638963
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)c1nccn1CC(=O)N1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1
InChIInChI=1S/C22H25N5O3/c1-14(2)22-24-7-8-27(22)13-20(28)26-9-10-30-19(12-26)18-11-16(21(23)29)15-5-3-4-6-17(15)25-18/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H2,23,29)/t19-/m0/s1
InChIKeyGSDAMRKXOHBIOV-IBGZPJMESA-N
XLogP2.25
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638264
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[4-(5-propyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251986
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92639289
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638378
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide (CID 92638963) is 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide is CC(C)c1nccn1CC(=O)N1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1.
What is the InChIKey of 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is GSDAMRKXOHBIOV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14(2)22-24-7-8-27(22)13-20(28)26-9-10-30-19(12-26)18-11-16(21(23)29)15-5-3-4-6-17(15)25-18/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H2,23,29)/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide?
2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).