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

C16H18N2O — CID 66885817

IUPAC7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1cccnc1
InChIInChI=1S/C16H18N2O/c1-18-10-13-8-14(19-2)5-6-15(13)16(11-18)12-4-3-7-17-9-12/h3-9,16H,10-11H2,1-2H3
InChIKeyZEGPBDQRWDROMK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.67
Rot. Bonds2

About 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 66885817) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID66885817
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1cccnc1
InChIInChI=1S/C16H18N2O/c1-18-10-13-8-14(19-2)5-6-15(13)16(11-18)12-4-3-7-17-9-12/h3-9,16H,10-11H2,1-2H3
InChIKeyZEGPBDQRWDROMK-UHFFFAOYSA-N
XLogP2.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (CID 66885817) is 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(C)CC2c1cccnc1.
What is the InChIKey of 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZEGPBDQRWDROMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-10-13-8-14(19-2)5-6-15(13)16(11-18)12-4-3-7-17-9-12/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 254.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 66885817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).