N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

C23H24N4O3 — CID 95815271

IUPACN-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15(2)25-22(28)18-12-20(26-19-8-4-3-7-17(18)19)21-14-27(10-11-30-21)23(29)16-6-5-9-24-13-16/h3-9,12-13,15,21H,10-11,14H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyXJJRIRPWVCVZLE-NRFANRHFSA-N
MW404.47 g/mol
LogP2.98
Rot. Bonds4

About N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 95815271) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID95815271
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15(2)25-22(28)18-12-20(26-19-8-4-3-7-17(18)19)21-14-27(10-11-30-21)23(29)16-6-5-9-24-13-16/h3-9,12-13,15,21H,10-11,14H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyXJJRIRPWVCVZLE-NRFANRHFSA-N
XLogP2.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638264
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
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
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 95815271) is N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12.
What is the InChIKey of N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is XJJRIRPWVCVZLE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)25-22(28)18-12-20(26-19-8-4-3-7-17(18)19)21-14-27(10-11-30-21)23(29)16-6-5-9-24-13-16/h3-9,12-13,15,21H,10-11,14H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 95815271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).