4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H19IN2O2 — CID 24901548

IUPAC4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2cc(I)ccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19IN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
InChIKeyOBPPICMYRQACDF-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.63
Rot. Bonds1

About 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901548) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901548
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC Name4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2cc(I)ccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19IN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3
InChIKeyOBPPICMYRQACDF-UHFFFAOYSA-N
XLogP3.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(3-hydroxyphenyl)-7-iodo-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 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901548) is 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1Cc2cc(I)ccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is OBPPICMYRQACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-20(2)18(23)21-10-13-8-14(19)6-7-16(13)17(11-21)12-4-3-5-15(22)9-12/h3-9,17,22H,10-11H2,1-2H3.
What are the key properties of 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 422.27 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-7-iodo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).