N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

C23H24N4O4 — CID 92636667

IUPACN-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O4/c1-30-12-10-25-22(28)18-14-20(26-19-5-3-2-4-17(18)19)21-15-27(11-13-31-21)23(29)16-6-8-24-9-7-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyVMALTSQRMARIBC-NRFANRHFSA-N
MW420.47 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92636667) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92636667
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O4/c1-30-12-10-25-22(28)18-14-20(26-19-5-3-2-4-17(18)19)21-15-27(11-13-31-21)23(29)16-6-8-24-9-7-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyVMALTSQRMARIBC-NRFANRHFSA-N
XLogP2.22
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714
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-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 92638221
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 92636667) is N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is COCCNC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is VMALTSQRMARIBC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-12-10-25-22(28)18-14-20(26-19-5-3-2-4-17(18)19)21-15-27(11-13-31-21)23(29)16-6-8-24-9-7-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).