4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide

C15H18N4O2 — CID 83096763

IUPAC4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4O2/c16-12-4-3-10(14-11(12)2-1-5-18-14)8-19-6-7-21-9-13(19)15(17)20/h1-5,13H,6-9,16H2,(H2,17,20)
InChIKeyVUWJSZJNOBOUMR-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.50
Rot. Bonds3

About 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide

4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide (PubChem CID 83096763) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
PubChem CID83096763
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4O2/c16-12-4-3-10(14-11(12)2-1-5-18-14)8-19-6-7-21-9-13(19)15(17)20/h1-5,13H,6-9,16H2,(H2,17,20)
InChIKeyVUWJSZJNOBOUMR-UHFFFAOYSA-N
XLogP0.50
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
CID 115960550
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-[[2-(propylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095743
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide
CID 83097175
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
CID 61311549
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide (CID 83096763) is 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccc(N)c2cccnc12.
What is the InChIKey of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide?
The InChIKey is VUWJSZJNOBOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-12-4-3-10(14-11(12)2-1-5-18-14)8-19-6-7-21-9-13(19)15(17)20/h1-5,13H,6-9,16H2,(H2,17,20).
What are the key properties of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide?
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).