N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine

C16H21N3O — CID 106540822

IUPACN-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
SMILESCCCN(c1nccc2ccc(OC)cc12)C1CNC1
InChIInChI=1S/C16H21N3O/c1-3-8-19(13-10-17-11-13)16-15-9-14(20-2)5-4-12(15)6-7-18-16/h4-7,9,13,17H,3,8,10-11H2,1-2H3
InChIKeyOXNKGABRWOXFCG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds5

About N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine

N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine (PubChem CID 106540822) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
PubChem CID106540822
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
SMILESCCCN(c1nccc2ccc(OC)cc12)C1CNC1
InChIInChI=1S/C16H21N3O/c1-3-8-19(13-10-17-11-13)16-15-9-14(20-2)5-4-12(15)6-7-18-16/h4-7,9,13,17H,3,8,10-11H2,1-2H3
InChIKeyOXNKGABRWOXFCG-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
1-ethyl-7-methoxyisoquinoline
CID 119092688
N-(azetidin-3-yl)-6-methoxy-N-propylpyridin-2-amine
CID 66214329
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine?
The IUPAC name of N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine (CID 106540822) is N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine.
What is the SMILES notation for N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine?
The canonical SMILES for N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine is CCCN(c1nccc2ccc(OC)cc12)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine?
The InChIKey is OXNKGABRWOXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-19(13-10-17-11-13)16-15-9-14(20-2)5-4-12(15)6-7-18-16/h4-7,9,13,17H,3,8,10-11H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine?
N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine is sourced from PubChem (CID 106540822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).