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

C15H18N4O2 — CID 103963546

IUPAC4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1c(N)cnc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-7-6-19(13)14-10-4-2-3-5-12(10)18-8-11(14)16/h2-5,8,13H,6-7,9,16H2,1H3,(H,17,20)
InChIKeyOITPSHCKSYPEIE-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.77
Rot. Bonds2

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

4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 103963546) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide
PubChem CID103963546
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1c(N)cnc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-7-6-19(13)14-10-4-2-3-5-12(10)18-8-11(14)16/h2-5,8,13H,6-7,9,16H2,1H3,(H,17,20)
InChIKeyOITPSHCKSYPEIE-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide (CID 103963546) is 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1c(N)cnc2ccccc12.
What is the InChIKey of 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is OITPSHCKSYPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-15(20)13-9-21-7-6-19(13)14-10-4-2-3-5-12(10)18-8-11(14)16/h2-5,8,13H,6-7,9,16H2,1H3,(H,17,20).
What are the key properties of 4-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide?
4-(3-aminoquinolin-4-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-(3-aminoquinolin-4-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 103963546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).