1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline

C18H20N2 — CID 139513360

IUPAC1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline
SMILESC1=Cc2ccccc2CN1.c1cc2c(cn1)CCCC2
InChIInChI=1S/C9H11N.C9H9N/c2*1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2;1-6,10H,7H2
InChIKeyHHCMDJOHHKBBDO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds

About 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline

1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline (PubChem CID 139513360) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline
PubChem CID139513360
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline
SMILESC1=Cc2ccccc2CN1.c1cc2c(cn1)CCCC2
InChIInChI=1S/C9H11N.C9H9N/c2*1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2;1-6,10H,7H2
InChIKeyHHCMDJOHHKBBDO-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline (CID 139513360) is 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline is C1=Cc2ccccc2CN1.c1cc2c(cn1)CCCC2.
What is the InChIKey of 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline?
The InChIKey is HHCMDJOHHKBBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H9N/c2*1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2;1-6,10H,7H2.
What are the key properties of 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline?
1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline has a molecular weight of 264.37 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 139513360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).