N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine

C16H15N3O — CID 82572547

IUPACN-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
SMILESCNc1ccc2ccnc(OCc3cccnc3)c2c1
InChIInChI=1S/C16H15N3O/c1-17-14-5-4-13-6-8-19-16(15(13)9-14)20-11-12-3-2-7-18-10-12/h2-10,17H,11H2,1H3
InChIKeyHRRQMFIUBZNBSM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine

N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine (PubChem CID 82572547) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine.

Molecular Properties

Compound NameN-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
PubChem CID82572547
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
SMILESCNc1ccc2ccnc(OCc3cccnc3)c2c1
InChIInChI=1S/C16H15N3O/c1-17-14-5-4-13-6-8-19-16(15(13)9-14)20-11-12-3-2-7-18-10-12/h2-10,17H,11H2,1H3
InChIKeyHRRQMFIUBZNBSM-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146630092
3-(pyridin-3-ylmethoxy)pyrazin-2-amine
CID 59168095
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-methyl-2-(pyridin-3-ylmethoxy)pyrimidine
CID 135179561
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine
CID 82572518
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine?
The IUPAC name of N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine (CID 82572547) is N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine.
What is the SMILES notation for N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine?
The canonical SMILES for N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine is CNc1ccc2ccnc(OCc3cccnc3)c2c1.
What is the InChIKey of N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine?
The InChIKey is HRRQMFIUBZNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-17-14-5-4-13-6-8-19-16(15(13)9-14)20-11-12-3-2-7-18-10-12/h2-10,17H,11H2,1H3.
What are the key properties of N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine?
N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine has a molecular weight of 265.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine is sourced from PubChem (CID 82572547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).