8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H19FN2O2 — CID 24901551

IUPAC8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2c(F)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19FN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3
InChIKeyOCIBJWHLBBHGGH-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.16
Rot. Bonds1

About 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901551) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901551
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2c(F)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19FN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3
InChIKeyOCIBJWHLBBHGGH-UHFFFAOYSA-N
XLogP3.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901551) is 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1Cc2c(F)cccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is OCIBJWHLBBHGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-20(2)18(23)21-10-15(12-5-3-6-13(22)9-12)14-7-4-8-17(19)16(14)11-21/h3-9,15,22H,10-11H2,1-2H3.
What are the key properties of 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).