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

C18H20N2O2 — CID 24901544

IUPAC4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2ccccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H20N2O2/c1-19(2)18(22)20-11-14-6-3-4-9-16(14)17(12-20)13-7-5-8-15(21)10-13/h3-10,17,21H,11-12H2,1-2H3
InChIKeyYGVYNBSNBWINDY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.02
Rot. Bonds1

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

4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901544) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901544
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2ccccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H20N2O2/c1-19(2)18(22)20-11-14-6-3-4-9-16(14)17(12-20)13-7-5-8-15(21)10-13/h3-10,17,21H,11-12H2,1-2H3
InChIKeyYGVYNBSNBWINDY-UHFFFAOYSA-N
XLogP3.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901544) is 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1Cc2ccccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YGVYNBSNBWINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19(2)18(22)20-11-14-6-3-4-9-16(14)17(12-20)13-7-5-8-15(21)10-13/h3-10,17,21H,11-12H2,1-2H3.
What are the key properties of 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).