2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C17H21N3O2 — CID 2105531

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)
InChIKeyPPWLZRSUBVSWRX-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 2105531) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID2105531
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)
InChIKeyPPWLZRSUBVSWRX-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 2105531) is 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is PPWLZRSUBVSWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2105531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).