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

C20H24N2O2 — CID 24901555

IUPAC8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1cccc2c1CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C20H24N2O2/c1-4-14-7-6-10-17-18(14)12-22(20(24)21(2)3)13-19(17)15-8-5-9-16(23)11-15/h5-11,19,23H,4,12-13H2,1-3H3
InChIKeySNCKDOOXTVGANV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds2

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

8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901555) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901555
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1cccc2c1CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C20H24N2O2/c1-4-14-7-6-10-17-18(14)12-22(20(24)21(2)3)13-19(17)15-8-5-9-16(23)11-15/h5-11,19,23H,4,12-13H2,1-3H3
InChIKeySNCKDOOXTVGANV-UHFFFAOYSA-N
XLogP3.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901555) is 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCc1cccc2c1CN(C(=O)N(C)C)CC2c1cccc(O)c1.
What is the InChIKey of 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is SNCKDOOXTVGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14-7-6-10-17-18(14)12-22(20(24)21(2)3)13-19(17)15-8-5-9-16(23)11-15/h5-11,19,23H,4,12-13H2,1-3H3.
What are the key properties of 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).