N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide

C20H20N4O2 — CID 136547172

IUPACN-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C20H20N4O2/c25-20(16-12-15-4-1-2-6-18(15)21-13-16)22-14-17-5-3-7-19(23-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11,14H2,(H,22,25)
InChIKeyBENAXJKFRAVFAW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds4

About N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide

N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide (PubChem CID 136547172) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
PubChem CID136547172
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C20H20N4O2/c25-20(16-12-15-4-1-2-6-18(15)21-13-16)22-14-17-5-3-7-19(23-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11,14H2,(H,22,25)
InChIKeyBENAXJKFRAVFAW-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576
4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 136532888
2-(2-methylpropyl)-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 136532891
8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136549928
3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
CID 136554218
1,6-dimethyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 136550911
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 167960615
1-(2-methoxyethyl)-6-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 167887604
N-methyl-4-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyridine-2-carboxamide
CID 139019313

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide (CID 136547172) is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide is O=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccccc2c1.
What is the InChIKey of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The InChIKey is BENAXJKFRAVFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(16-12-15-4-1-2-6-18(15)21-13-16)22-14-17-5-3-7-19(23-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11,14H2,(H,22,25).
What are the key properties of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 136547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).