7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H20N2O — CID 24901534

IUPAC7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(N)=O)CC2c1ccccc1
InChIInChI=1S/C18H20N2O/c1-12-8-9-15-16(13(12)2)10-20(18(19)21)11-17(15)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,19,21)
InChIKeyPAHJLODFLYOINM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.33
Rot. Bonds1

About 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901534) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901534
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(N)=O)CC2c1ccccc1
InChIInChI=1S/C18H20N2O/c1-12-8-9-15-16(13(12)2)10-20(18(19)21)11-17(15)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,19,21)
InChIKeyPAHJLODFLYOINM-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901534) is 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc2c(c1C)CN(C(N)=O)CC2c1ccccc1.
What is the InChIKey of 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PAHJLODFLYOINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-8-9-15-16(13(12)2)10-20(18(19)21)11-17(15)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,19,21).
What are the key properties of 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).