6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline

C18H17N3 — CID 129394089

IUPAC6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
SMILESCN1Cc2ccccc2[C@@H](c2ccc3nnccc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)13-6-7-18-14(10-13)8-9-19-20-18/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyRNEUOBOHNKDECR-QGZVFWFLSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds1

About 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline

6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline (PubChem CID 129394089) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline.

Molecular Properties

Compound Name6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
PubChem CID129394089
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
SMILESCN1Cc2ccccc2[C@@H](c2ccc3nnccc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)13-6-7-18-14(10-13)8-9-19-20-18/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyRNEUOBOHNKDECR-QGZVFWFLSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline with MolForge

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Related Compounds

7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394657
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
CID 68996107
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995695
4-indolizin-6-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11615894
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
CID 68998513
(Z)-but-2-enedioic acid;6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,3-benzothiazole
CID 131727471
4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996964

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The IUPAC name of 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline (CID 129394089) is 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline.
What is the SMILES notation for 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The canonical SMILES for 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline is CN1Cc2ccccc2[C@@H](c2ccc3nnccc3c2)C1.
What is the InChIKey of 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The InChIKey is RNEUOBOHNKDECR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)13-6-7-18-14(10-13)8-9-19-20-18/h2-10,17H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline has a molecular weight of 275.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline is sourced from PubChem (CID 129394089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).