4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline

C22H19N3O — CID 142757860

IUPAC4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cncnc3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C22H19N3O/c1-25-12-18-8-15(19-10-23-14-24-11-19)2-4-20(18)21(13-25)16-3-5-22-17(9-16)6-7-26-22/h2-11,14,21H,12-13H2,1H3
InChIKeyFGDQRLOAVCNZFY-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.47
Rot. Bonds2

About 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline

4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 142757860) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
PubChem CID142757860
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cncnc3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C22H19N3O/c1-25-12-18-8-15(19-10-23-14-24-11-19)2-4-20(18)21(13-25)16-3-5-22-17(9-16)6-7-26-22/h2-11,14,21H,12-13H2,1H3
InChIKeyFGDQRLOAVCNZFY-UHFFFAOYSA-N
XLogP4.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
4-(1-benzofuran-5-yl)-8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 68998563
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995735
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997755
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 69000201
6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68998697
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
4-(1-benzothiophen-5-yl)-2-methyl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68997137
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996632
4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 68994721
4-(1H-indol-6-yl)-2-methyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68997600

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline (CID 142757860) is 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3cncnc3)ccc2C(c2ccc3occc3c2)C1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FGDQRLOAVCNZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25-12-18-8-15(19-10-23-14-24-11-19)2-4-20(18)21(13-25)16-3-5-22-17(9-16)6-7-26-22/h2-11,14,21H,12-13H2,1H3.
What are the key properties of 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 341.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142757860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).