7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine

C19H19FN4O — CID 122158419

IUPAC7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine
SMILESFc1ccc2ccnc(NCc3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C19H19FN4O/c20-16-2-1-15-4-6-22-19(17(15)12-16)23-13-14-3-5-21-18(11-14)24-7-9-25-10-8-24/h1-6,11-12H,7-10,13H2,(H,22,23)
InChIKeyLGNVOSWEOORZQR-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.22
Rot. Bonds4

About 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine

7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine (PubChem CID 122158419) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine
PubChem CID122158419
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine
SMILESFc1ccc2ccnc(NCc3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C19H19FN4O/c20-16-2-1-15-4-6-22-19(17(15)12-16)23-13-14-3-5-21-18(11-14)24-7-9-25-10-8-24/h1-6,11-12H,7-10,13H2,(H,22,23)
InChIKeyLGNVOSWEOORZQR-UHFFFAOYSA-N
XLogP3.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 34001436
2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
CID 34001293
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
3-(2-morpholin-4-yl-4-pyridinyl)propan-1-amine
CID 83890126
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55589673
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine (CID 122158419) is 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine is Fc1ccc2ccnc(NCc3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine?
The InChIKey is LGNVOSWEOORZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-2-1-15-4-6-22-19(17(15)12-16)23-13-14-3-5-21-18(11-14)24-7-9-25-10-8-24/h1-6,11-12H,7-10,13H2,(H,22,23).
What are the key properties of 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine?
7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine has a molecular weight of 338.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 122158419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).