4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide

C15H18N4O2 — CID 83096750

IUPAC4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide
SMILESNCc1cc2ccccc2nc1N1CCOCC1C(N)=O
InChIInChI=1S/C15H18N4O2/c16-8-11-7-10-3-1-2-4-12(10)18-15(11)19-5-6-21-9-13(19)14(17)20/h1-4,7,13H,5-6,8-9,16H2,(H2,17,20)
InChIKeyUGIQMNDKGYDPEW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.38
Rot. Bonds3

About 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide

4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide (PubChem CID 83096750) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide
PubChem CID83096750
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide
SMILESNCc1cc2ccccc2nc1N1CCOCC1C(N)=O
InChIInChI=1S/C15H18N4O2/c16-8-11-7-10-3-1-2-4-12(10)18-15(11)19-5-6-21-9-13(19)14(17)20/h1-4,7,13H,5-6,8-9,16H2,(H2,17,20)
InChIKeyUGIQMNDKGYDPEW-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide (CID 83096750) is 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide is NCc1cc2ccccc2nc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide?
The InChIKey is UGIQMNDKGYDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-8-11-7-10-3-1-2-4-12(10)18-15(11)19-5-6-21-9-13(19)14(17)20/h1-4,7,13H,5-6,8-9,16H2,(H2,17,20).
What are the key properties of 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide?
4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83096750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).