N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine

C14H11BrN2O — CID 113268291

IUPACN-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
SMILESBrc1ccoc1CNc1cccc2ccncc12
InChIInChI=1S/C14H11BrN2O/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-4-6-16-8-11(10)13/h1-8,17H,9H2
InChIKeyWBCZNCRXWHAICC-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.20
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine

N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine (PubChem CID 113268291) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
PubChem CID113268291
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC NameN-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
SMILESBrc1ccoc1CNc1cccc2ccncc12
InChIInChI=1S/C14H11BrN2O/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-4-6-16-8-11(10)13/h1-8,17H,9H2
InChIKeyWBCZNCRXWHAICC-UHFFFAOYSA-N
XLogP4.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 106885249
N-propylisoquinolin-8-amine
CID 54033424
[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
CID 103818101
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(3-bromofuran-2-yl)methyl]-2-nitroaniline
CID 106885203
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
CID 107445864
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethylsulfanyl)aniline
CID 106885053
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
CID 80648918

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine (CID 113268291) is N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine is Brc1ccoc1CNc1cccc2ccncc12.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine?
The InChIKey is WBCZNCRXWHAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-4-6-16-8-11(10)13/h1-8,17H,9H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine?
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine has a molecular weight of 303.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine is sourced from PubChem (CID 113268291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).