7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline

C19H18N2 — CID 129385280

IUPAC7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccncc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3/t19-/m0/s1
InChIKeyRZAMZNWSJJJJJJ-IBGZPJMESA-N
MW274.37 g/mol
LogP3.81
Rot. Bonds1

About 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline

7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline (PubChem CID 129385280) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline.

Molecular Properties

Compound Name7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
PubChem CID129385280
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccncc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3/t19-/m0/s1
InChIKeyRZAMZNWSJJJJJJ-IBGZPJMESA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline?
The IUPAC name of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline (CID 129385280) is 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline.
What is the SMILES notation for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline?
The canonical SMILES for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline is CN1Cc2ccccc2[C@H](c2ccc3ccncc3c2)C1.
What is the InChIKey of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline?
The InChIKey is RZAMZNWSJJJJJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline?
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline has a molecular weight of 274.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline is sourced from PubChem (CID 129385280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).