6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

C15H16N2O — CID 175712154

IUPAC6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1cccnc1)C2
InChIInChI=1S/C15H16N2O/c1-18-15-5-4-13-11-17(8-6-12(13)9-15)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyNDWWICBGZXRFSC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds2

About 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 175712154) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID175712154
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1cccnc1)C2
InChIInChI=1S/C15H16N2O/c1-18-15-5-4-13-11-17(8-6-12(13)9-15)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyNDWWICBGZXRFSC-UHFFFAOYSA-N
XLogP2.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
7-pyridin-3-yl-6,8-dihydro-5H-1,7-naphthyridin-2-amine
CID 166460441
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 118447852
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 133394692
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510150
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
CID 11507918
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (CID 175712154) is 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1cccnc1)C2.
What is the InChIKey of 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NDWWICBGZXRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-15-5-4-13-11-17(8-6-12(13)9-15)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 240.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175712154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).