7-chloro-1-methyl-3,4-dihydroisoquinoline

C10H10ClN — CID 11095213

IUPAC7-chloro-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyQVKOATNNZYHZPF-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.71
Rot. Bonds

About 7-chloro-1-methyl-3,4-dihydroisoquinoline

7-chloro-1-methyl-3,4-dihydroisoquinoline (PubChem CID 11095213) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 7-chloro-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1-methyl-3,4-dihydroisoquinoline
PubChem CID11095213
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name7-chloro-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyQVKOATNNZYHZPF-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-1-methyl-3,4-dihydroisoquinoline (CID 11095213) is 7-chloro-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-1-methyl-3,4-dihydroisoquinoline is CC1=NCCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is QVKOATNNZYHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-1-methyl-3,4-dihydroisoquinoline?
7-chloro-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 179.65 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 11095213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).