isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine

C17H23N3O — CID 79663744

IUPACisoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-2-7-20-8-9-21-16(12-20)17(18)15-11-19-10-13-5-3-4-6-14(13)15/h3-6,10-11,16-17H,2,7-9,12,18H2,1H3
InChIKeyYXDQDANBMUXDCF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds4

About isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine

isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79663744) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
PubChem CID79663744
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Nameisoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-2-7-20-8-9-21-16(12-20)17(18)15-11-19-10-13-5-3-4-6-14(13)15/h3-6,10-11,16-17H,2,7-9,12,18H2,1H3
InChIKeyYXDQDANBMUXDCF-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79657694
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
CID 79666525
(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol
CID 79666005
phenyl-(4-propylmorpholin-2-yl)methanamine
CID 79657763
(4-propylmorpholin-2-yl)-pyrimidin-5-ylmethanamine
CID 79657464
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688558
isoquinolin-5-yl-(4-methylmorpholin-2-yl)methanamine
CID 79092758
furan-3-yl-(4-propylmorpholin-2-yl)methanamine
CID 79658317
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanamine
CID 79657163
1-(4-propylmorpholin-2-yl)-2-pyridin-2-ylethanamine
CID 79657229
3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
CID 79658236
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanamine
CID 82822230

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine (CID 79663744) is isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(N)c2cncc3ccccc23)C1.
What is the InChIKey of isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is YXDQDANBMUXDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-7-20-8-9-21-16(12-20)17(18)15-11-19-10-13-5-3-4-6-14(13)15/h3-6,10-11,16-17H,2,7-9,12,18H2,1H3.
What are the key properties of isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine?
isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).