N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide

C21H23N5O3 — CID 90491761

IUPACN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
SMILESCc1nc(OCCNC(=O)c2ccc3ccccc3n2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-23-19(26-9-12-28-13-10-26)14-20(24-15)29-11-8-22-21(27)18-7-6-16-4-2-3-5-17(16)25-18/h2-7,14H,8-13H2,1H3,(H,22,27)
InChIKeyUCROWTRDIKJYKD-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide

N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide (PubChem CID 90491761) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
PubChem CID90491761
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
SMILESCc1nc(OCCNC(=O)c2ccc3ccccc3n2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-23-19(26-9-12-28-13-10-26)14-20(24-15)29-11-8-22-21(27)18-7-6-16-4-2-3-5-17(16)25-18/h2-7,14H,8-13H2,1H3,(H,22,27)
InChIKeyUCROWTRDIKJYKD-UHFFFAOYSA-N
XLogP1.98
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491617
2-(2-chlorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491668
2-(2-fluorophenoxy)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491762
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
CID 90491744
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
CID 90491812
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitrobenzamide
CID 90491741
2-chloro-4-fluoro-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491734
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90491826
3-(4-fluorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-5-carboxamide
CID 90491814
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide (CID 90491761) is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide is Cc1nc(OCCNC(=O)c2ccc3ccccc3n2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide?
The InChIKey is UCROWTRDIKJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-23-19(26-9-12-28-13-10-26)14-20(24-15)29-11-8-22-21(27)18-7-6-16-4-2-3-5-17(16)25-18/h2-7,14H,8-13H2,1H3,(H,22,27).
What are the key properties of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide?
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide is sourced from PubChem (CID 90491761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).