3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline

C14H15N — CID 156549162

IUPAC3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline
SMILESCc1cc2ccc3c(c2cn1)CCCC3
InChIInChI=1S/C14H15N/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-15-10/h6-9H,2-5H2,1H3
InChIKeyWIJGOJRNXNTOIO-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.42
Rot. Bonds

About 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline

3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline (PubChem CID 156549162) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline.

Molecular Properties

Compound Name3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline
PubChem CID156549162
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline
SMILESCc1cc2ccc3c(c2cn1)CCCC3
InChIInChI=1S/C14H15N/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-15-10/h6-9H,2-5H2,1H3
InChIKeyWIJGOJRNXNTOIO-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline?
The IUPAC name of 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline (CID 156549162) is 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline.
What is the SMILES notation for 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline?
The canonical SMILES for 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline is Cc1cc2ccc3c(c2cn1)CCCC3.
What is the InChIKey of 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline?
The InChIKey is WIJGOJRNXNTOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-15-10/h6-9H,2-5H2,1H3.
What are the key properties of 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline?
3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline has a molecular weight of 197.28 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline is sourced from PubChem (CID 156549162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).