7-benzylisoquinoline

C16H13N — CID 21192449

IUPAC7-benzylisoquinoline
SMILESc1ccc(Cc2ccc3ccncc3c2)cc1
InChIInChI=1S/C16H13N/c1-2-4-13(5-3-1)10-14-6-7-15-8-9-17-12-16(15)11-14/h1-9,11-12H,10H2
InChIKeyVQRPCINAMLXPLK-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.83
Rot. Bonds2

About 7-benzylisoquinoline

7-benzylisoquinoline (PubChem CID 21192449) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-benzylisoquinoline.

Molecular Properties

Compound Name7-benzylisoquinoline
PubChem CID21192449
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name7-benzylisoquinoline
SMILESc1ccc(Cc2ccc3ccncc3c2)cc1
InChIInChI=1S/C16H13N/c1-2-4-13(5-3-1)10-14-6-7-15-8-9-17-12-16(15)11-14/h1-9,11-12H,10H2
InChIKeyVQRPCINAMLXPLK-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910
3-Phenylpyridine
CID 13886
5-Aminoisoquinoline
CID 70766
4-(3-Phenylpropyl)pyridine
CID 74937
3-Methylquinoline
CID 11926
4-Benzylpyridine
CID 16458

Frequently Asked Questions

What is the IUPAC name of 7-benzylisoquinoline?
The IUPAC name of 7-benzylisoquinoline (CID 21192449) is 7-benzylisoquinoline.
What is the SMILES notation for 7-benzylisoquinoline?
The canonical SMILES for 7-benzylisoquinoline is c1ccc(Cc2ccc3ccncc3c2)cc1.
What is the InChIKey of 7-benzylisoquinoline?
The InChIKey is VQRPCINAMLXPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-4-13(5-3-1)10-14-6-7-15-8-9-17-12-16(15)11-14/h1-9,11-12H,10H2.
What are the key properties of 7-benzylisoquinoline?
7-benzylisoquinoline has a molecular weight of 219.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylisoquinoline is sourced from PubChem (CID 21192449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).