6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline

C17H18ClNO — CID 14198577

IUPAC6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1Cl)CCN(C)C2c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyVPOGKOASTNUXEU-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline

6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 14198577) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID14198577
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1Cl)CCN(C)C2c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyVPOGKOASTNUXEU-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 14198577) is 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1Cl)CCN(C)C2c1ccccc1.
What is the InChIKey of 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VPOGKOASTNUXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14198577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).