(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine

C18H16N2O — CID 104946165

IUPAC(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cncc3ccccc23)Oc2ccccc21
InChIInChI=1S/C18H16N2O/c19-16-9-18(21-17-8-4-3-7-14(16)17)15-11-20-10-12-5-1-2-6-13(12)15/h1-8,10-11,16,18H,9,19H2/t16-,18?/m1/s1
InChIKeyBJFMLOSYQMDTMX-PYUWXLGESA-N
MW276.34 g/mol
LogP3.76
Rot. Bonds1

About (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine

(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946165) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946165
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cncc3ccccc23)Oc2ccccc21
InChIInChI=1S/C18H16N2O/c19-16-9-18(21-17-8-4-3-7-14(16)17)15-11-20-10-12-5-1-2-6-13(12)15/h1-8,10-11,16,18H,9,19H2/t16-,18?/m1/s1
InChIKeyBJFMLOSYQMDTMX-PYUWXLGESA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709531
(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946218
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946263
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
4-isoquinolin-4-ylcyclohexan-1-amine
CID 83261369
(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946079
(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
CID 141093967

Frequently Asked Questions

What is the IUPAC name of (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine (CID 104946165) is (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cncc3ccccc23)Oc2ccccc21.
What is the InChIKey of (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BJFMLOSYQMDTMX-PYUWXLGESA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-9-18(21-17-8-4-3-7-14(16)17)15-11-20-10-12-5-1-2-6-13(12)15/h1-8,10-11,16,18H,9,19H2/t16-,18?/m1/s1.
What are the key properties of (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-isoquinolin-4-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).