[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone

C19H21N5O2 — CID 172890202

IUPAC[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone
SMILESO=C(c1cccc2cnccc12)N1CCOCC1CNCc1ncc[nH]1
InChIInChI=1S/C19H21N5O2/c25-19(17-3-1-2-14-10-20-5-4-16(14)17)24-8-9-26-13-15(24)11-21-12-18-22-6-7-23-18/h1-7,10,15,21H,8-9,11-13H2,(H,22,23)
InChIKeyMGVOLCNLPMETST-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.59
Rot. Bonds5

About [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone

[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone (PubChem CID 172890202) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone
PubChem CID172890202
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone
SMILESO=C(c1cccc2cnccc12)N1CCOCC1CNCc1ncc[nH]1
InChIInChI=1S/C19H21N5O2/c25-19(17-3-1-2-14-10-20-5-4-16(14)17)24-8-9-26-13-15(24)11-21-12-18-22-6-7-23-18/h1-7,10,15,21H,8-9,11-13H2,(H,22,23)
InChIKeyMGVOLCNLPMETST-UHFFFAOYSA-N
XLogP1.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone?
The IUPAC name of [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone (CID 172890202) is [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone.
What is the SMILES notation for [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone?
The canonical SMILES for [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone is O=C(c1cccc2cnccc12)N1CCOCC1CNCc1ncc[nH]1.
What is the InChIKey of [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone?
The InChIKey is MGVOLCNLPMETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(17-3-1-2-14-10-20-5-4-16(14)17)24-8-9-26-13-15(24)11-21-12-18-22-6-7-23-18/h1-7,10,15,21H,8-9,11-13H2,(H,22,23).
What are the key properties of [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone?
[3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1H-imidazol-2-ylmethylamino)methyl]morpholin-4-yl]-isoquinolin-5-ylmethanone is sourced from PubChem (CID 172890202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).