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

C18H19BrN2O2 — CID 24901553

IUPAC8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2c(Br)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19BrN2O2/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
InChIKeyIMPWUTKVTMDXIN-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.78
Rot. Bonds1

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

8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901553) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901553
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2c(Br)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19BrN2O2/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
InChIKeyIMPWUTKVTMDXIN-UHFFFAOYSA-N
XLogP3.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6857690
CID 6857690
CID 24901540
CID 24901540
CID 24901547
CID 24901547
CID 24901548
CID 24901548
CID 24901549
CID 24901549
CID 24901555
CID 24901555
CID 24901554
CID 24901554
CID 45274910
CID 45274910
CID 24901544
CID 24901544
CID 24901545
CID 24901545
CID 24901551
CID 24901551
CID 89992807
CID 89992807

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901553) is 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1Cc2c(Br)cccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is IMPWUTKVTMDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/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-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).