6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide

C23H26N4O2 — CID 50798366

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C23H26N4O2/c1-17-5-6-21-19(14-17)20(15-22(26-21)18-4-2-7-24-16-18)23(28)25-8-3-9-27-10-12-29-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,28)
InChIKeyAUEBBLYRCBMUMT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.06
Rot. Bonds6

About 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide

6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 50798366) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID50798366
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C23H26N4O2/c1-17-5-6-21-19(14-17)20(15-22(26-21)18-4-2-7-24-16-18)23(28)25-8-3-9-27-10-12-29-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,28)
InChIKeyAUEBBLYRCBMUMT-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 50798366) is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is AUEBBLYRCBMUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-5-6-21-19(14-17)20(15-22(26-21)18-4-2-7-24-16-18)23(28)25-8-3-9-27-10-12-29-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,28).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).