N-(2-methoxyphenyl)isoquinolin-8-amine

C16H14N2O — CID 82582626

IUPACN-(2-methoxyphenyl)isoquinolin-8-amine
SMILESCOc1ccccc1Nc1cccc2ccncc12
InChIInChI=1S/C16H14N2O/c1-19-16-8-3-2-6-15(16)18-14-7-4-5-12-9-10-17-11-13(12)14/h2-11,18H,1H3
InChIKeyWSVODVCHZOTMAO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds3

About N-(2-methoxyphenyl)isoquinolin-8-amine

N-(2-methoxyphenyl)isoquinolin-8-amine (PubChem CID 82582626) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)isoquinolin-8-amine
PubChem CID82582626
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(2-methoxyphenyl)isoquinolin-8-amine
SMILESCOc1ccccc1Nc1cccc2ccncc12
InChIInChI=1S/C16H14N2O/c1-19-16-8-3-2-6-15(16)18-14-7-4-5-12-9-10-17-11-13(12)14/h2-11,18H,1H3
InChIKeyWSVODVCHZOTMAO-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propylisoquinolin-8-amine
CID 54033424
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
2-methoxy-N-phenylaniline
CID 10910514
isoquinolin-8-ylurea
CID 67363282
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308
N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
CID 115742878
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085
7-methoxy-N-methylisoquinolin-8-amine
CID 82582632

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)isoquinolin-8-amine?
The IUPAC name of N-(2-methoxyphenyl)isoquinolin-8-amine (CID 82582626) is N-(2-methoxyphenyl)isoquinolin-8-amine.
What is the SMILES notation for N-(2-methoxyphenyl)isoquinolin-8-amine?
The canonical SMILES for N-(2-methoxyphenyl)isoquinolin-8-amine is COc1ccccc1Nc1cccc2ccncc12.
What is the InChIKey of N-(2-methoxyphenyl)isoquinolin-8-amine?
The InChIKey is WSVODVCHZOTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-16-8-3-2-6-15(16)18-14-7-4-5-12-9-10-17-11-13(12)14/h2-11,18H,1H3.
What are the key properties of N-(2-methoxyphenyl)isoquinolin-8-amine?
N-(2-methoxyphenyl)isoquinolin-8-amine has a molecular weight of 250.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)isoquinolin-8-amine is sourced from PubChem (CID 82582626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).