2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

C24H28N6O3 — CID 92638995

IUPAC2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCNc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1
InChIInChI=1S/C24H28N6O3/c1-15(2)11-26-22(31)18-10-20(29-19-7-5-4-6-17(18)19)21-14-30(8-9-33-21)23(32)16-12-27-24(25-3)28-13-16/h4-7,10,12-13,15,21H,8-9,11,14H2,1-3H3,(H,26,31)(H,25,27,28)/t21-/m0/s1
InChIKeyMMHZIBCJOKYVPU-NRFANRHFSA-N
MW448.53 g/mol
LogP2.67
Rot. Bonds6

About 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 92638995) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID92638995
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCNc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1
InChIInChI=1S/C24H28N6O3/c1-15(2)11-26-22(31)18-10-20(29-19-7-5-4-6-17(18)19)21-14-30(8-9-33-21)23(32)16-12-27-24(25-3)28-13-16/h4-7,10,12-13,15,21H,8-9,11,14H2,1-3H3,(H,26,31)(H,25,27,28)/t21-/m0/s1
InChIKeyMMHZIBCJOKYVPU-NRFANRHFSA-N
XLogP2.67
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
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
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
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
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 92638995) is 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is CNc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1.
What is the InChIKey of 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is MMHZIBCJOKYVPU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15(2)11-26-22(31)18-10-20(29-19-7-5-4-6-17(18)19)21-14-30(8-9-33-21)23(32)16-12-27-24(25-3)28-13-16/h4-7,10,12-13,15,21H,8-9,11,14H2,1-3H3,(H,26,31)(H,25,27,28)/t21-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 92638995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).