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

C18H19BrN2O2 — CID 24901547

IUPAC7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2cc(Br)ccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19BrN2O2/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
InChIKeyQGJPPNDXBDCENW-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.78
Rot. Bonds1

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

7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901547) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901547
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1Cc2cc(Br)ccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C18H19BrN2O2/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
InChIKeyQGJPPNDXBDCENW-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901547) is 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1Cc2cc(Br)ccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QGJPPNDXBDCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/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 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7-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 7-bromo-4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).