2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C24H27N5O3 — CID 92639142

IUPAC2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCNc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H27N5O3/c1-15(2)27-23(30)18-13-20(28-19-7-5-4-6-17(18)19)21-14-29(10-11-32-21)24(31)16-8-9-26-22(12-16)25-3/h4-9,12-13,15,21H,10-11,14H2,1-3H3,(H,25,26)(H,27,30)/t21-/m1/s1
InChIKeyIQANIDUXHBKCDL-OAQYLSRUSA-N
MW433.51 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92639142) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92639142
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCNc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H27N5O3/c1-15(2)27-23(30)18-13-20(28-19-7-5-4-6-17(18)19)21-14-29(10-11-32-21)24(31)16-8-9-26-22(12-16)25-3/h4-9,12-13,15,21H,10-11,14H2,1-3H3,(H,25,26)(H,27,30)/t21-/m1/s1
InChIKeyIQANIDUXHBKCDL-OAQYLSRUSA-N
XLogP3.02
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92639142) is 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CNc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)ccn1.
What is the InChIKey of 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is IQANIDUXHBKCDL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(2)27-23(30)18-13-20(28-19-7-5-4-6-17(18)19)21-14-29(10-11-32-21)24(31)16-8-9-26-22(12-16)25-3/h4-9,12-13,15,21H,10-11,14H2,1-3H3,(H,25,26)(H,27,30)/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92639142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).