3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine

C17H23N3O — CID 63850211

IUPAC3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(CNCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C17H23N3O/c1-2-5-17-16(4-1)15(6-8-19-17)14-18-7-3-9-20-10-12-21-13-11-20/h1-2,4-6,8,18H,3,7,9-14H2
InChIKeyGOMBIKYZEPJMNV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds6

About 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine (PubChem CID 63850211) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
PubChem CID63850211
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(CNCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C17H23N3O/c1-2-5-17-16(4-1)15(6-8-19-17)14-18-7-3-9-20-10-12-21-13-11-20/h1-2,4-6,8,18H,3,7,9-14H2
InChIKeyGOMBIKYZEPJMNV-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
N-(quinolin-4-ylmethyl)morpholin-4-amine
CID 83009729
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
3-pyrrolidin-1-yl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614273
iron(2+);N-(quinolin-4-ylmethyl)-2-(3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)ethanamine
CID 51039853

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine (CID 63850211) is 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine is c1ccc2c(CNCCCN3CCOCC3)ccnc2c1.
What is the InChIKey of 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
The InChIKey is GOMBIKYZEPJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-5-17-16(4-1)15(6-8-19-17)14-18-7-3-9-20-10-12-21-13-11-20/h1-2,4-6,8,18H,3,7,9-14H2.
What are the key properties of 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63850211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).