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

C19H22N2O2 — CID 24901549

IUPAC4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-8-17-15(9-13)11-21(19(23)20(2)3)12-18(17)14-5-4-6-16(22)10-14/h4-10,18,22H,11-12H2,1-3H3
InChIKeyGCISEGBZADPWLU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds1

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

4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901549) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901549
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-8-17-15(9-13)11-21(19(23)20(2)3)12-18(17)14-5-4-6-16(22)10-14/h4-10,18,22H,11-12H2,1-3H3
InChIKeyGCISEGBZADPWLU-UHFFFAOYSA-N
XLogP3.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-hydroxyphenyl)-N,N,7-trimethyl-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)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901549) is 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GCISEGBZADPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-8-17-15(9-13)11-21(19(23)20(2)3)12-18(17)14-5-4-6-16(22)10-14/h4-10,18,22H,11-12H2,1-3H3.
What are the key properties of 4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-(3-hydroxyphenyl)-N,N,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.33, 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,7-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).