1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

C17H17N3 — CID 103143559

IUPAC1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1cccc2ccncc12
InChIInChI=1S/C17H17N3/c1-12-6-9-20-16(10-12)17(18-2)14-5-3-4-13-7-8-19-11-15(13)14/h3-11,17-18H,1-2H3
InChIKeyADXDAFQKSMTLSB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.25
Rot. Bonds3

About 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (PubChem CID 103143559) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
PubChem CID103143559
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1cccc2ccncc12
InChIInChI=1S/C17H17N3/c1-12-6-9-20-16(10-12)17(18-2)14-5-3-4-13-7-8-19-11-15(13)14/h3-11,17-18H,1-2H3
InChIKeyADXDAFQKSMTLSB-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (CID 103143559) is 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is CNC(c1cc(C)ccn1)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is ADXDAFQKSMTLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-6-9-20-16(10-12)17(18-2)14-5-3-4-13-7-8-19-11-15(13)14/h3-11,17-18H,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 103143559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).