N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine

C15H14N2O — CID 142563003

IUPACN-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine
SMILESCNc1cc2cc(-c3ccc(C)o3)ccc2cn1
InChIInChI=1S/C15H14N2O/c1-10-3-6-14(18-10)11-4-5-12-9-17-15(16-2)8-13(12)7-11/h3-9H,1-2H3,(H,16,17)
InChIKeyJHJFVHJGRLJUIC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.84
Rot. Bonds2

About N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine

N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine (PubChem CID 142563003) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine
PubChem CID142563003
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine
SMILESCNc1cc2cc(-c3ccc(C)o3)ccc2cn1
InChIInChI=1S/C15H14N2O/c1-10-3-6-14(18-10)11-4-5-12-9-17-15(16-2)8-13(12)7-11/h3-9H,1-2H3,(H,16,17)
InChIKeyJHJFVHJGRLJUIC-UHFFFAOYSA-N
XLogP3.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine
CID 142575126
N-methylisoquinolin-3-amine
CID 24976745
6-(5-methylfuran-2-yl)-N-[[4-(pentylamino)cyclohexyl]methoxymethyl]isoquinolin-3-amine;molecular hydrogen
CID 142563028
6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
CID 145392399
N,1-dimethyl-5-(5-methylfuran-2-yl)pyrazol-3-amine
CID 116827492
6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 62202771
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
CID 166954727
2-[(1E)-buta-1,3-dienyl]-3,4,5,6-tetramethylbenzenethiol;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 153384560

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine?
The IUPAC name of N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine (CID 142563003) is N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine.
What is the SMILES notation for N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine?
The canonical SMILES for N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine is CNc1cc2cc(-c3ccc(C)o3)ccc2cn1.
What is the InChIKey of N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine?
The InChIKey is JHJFVHJGRLJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-6-14(18-10)11-4-5-12-9-17-15(16-2)8-13(12)7-11/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine?
N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine has a molecular weight of 238.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine is sourced from PubChem (CID 142563003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).