1-methyl-3-phenylisoquinoline

C16H13N — CID 10376139

IUPAC1-methyl-3-phenylisoquinoline
SMILESCc1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13N/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyZOXOLPGKTSLTFP-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.21
Rot. Bonds1

About 1-methyl-3-phenylisoquinoline

1-methyl-3-phenylisoquinoline (PubChem CID 10376139) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-3-phenylisoquinoline.

Molecular Properties

Compound Name1-methyl-3-phenylisoquinoline
PubChem CID10376139
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-phenylisoquinoline
SMILESCc1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13N/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyZOXOLPGKTSLTFP-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-1-methylisoquinoline
CID 141395561
3-isoquinolin-3-yl-1-methylisoquinoline
CID 145217265
3-phenyl-1-[(3-phenylisoquinolin-1-yl)methyl]isoquinoline
CID 170983853
1-(difluoromethyl)-3-phenylisoquinoline
CID 158150441
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium
CID 174924369
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenylpyrimidine
CID 176622520
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylisoquinoline?
The IUPAC name of 1-methyl-3-phenylisoquinoline (CID 10376139) is 1-methyl-3-phenylisoquinoline.
What is the SMILES notation for 1-methyl-3-phenylisoquinoline?
The canonical SMILES for 1-methyl-3-phenylisoquinoline is Cc1nc(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 1-methyl-3-phenylisoquinoline?
The InChIKey is ZOXOLPGKTSLTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 1-methyl-3-phenylisoquinoline?
1-methyl-3-phenylisoquinoline has a molecular weight of 219.29 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylisoquinoline is sourced from PubChem (CID 10376139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).