4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide

C15H18N4O2 — CID 83097175

IUPAC4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-8-7-19(13)12-5-4-11(16)10-3-2-6-18-14(10)12/h2-6,13H,7-9,16H2,1H3,(H,17,20)
InChIKeyZKGOLLZZBGVERL-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.77
Rot. Bonds2

About 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide

4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83097175) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83097175
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-8-7-19(13)12-5-4-11(16)10-3-2-6-18-14(10)12/h2-6,13H,7-9,16H2,1H3,(H,17,20)
InChIKeyZKGOLLZZBGVERL-UHFFFAOYSA-N
XLogP0.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.77
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-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide
CID 103963546
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
CID 83096763
4-(5-amino-6-cyano-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 103468954
2-amino-4-fluoro-5-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83105182
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide
CID 83097189

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide (CID 83097175) is 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1ccc(N)c2cccnc12.
What is the InChIKey of 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is ZKGOLLZZBGVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-8-7-19(13)12-5-4-11(16)10-3-2-6-18-14(10)12/h2-6,13H,7-9,16H2,1H3,(H,17,20).
What are the key properties of 4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide?
4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.77, 2 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)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).