5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride

C14H14BrClN2O2 — CID 75469390

IUPAC5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNCC2)c1coc(Br)c1
InChIInChI=1S/C14H13BrN2O2.ClH/c15-13-6-11(8-19-13)14(18)17-12-2-1-9-3-4-16-7-10(9)5-12;/h1-2,5-6,8,16H,3-4,7H2,(H,17,18);1H
InChIKeyXFGBSRNIUZETNO-UHFFFAOYSA-N
MW357.64 g/mol
LogP3.36
Rot. Bonds2

About 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride

5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride (PubChem CID 75469390) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
PubChem CID75469390
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNCC2)c1coc(Br)c1
InChIInChI=1S/C14H13BrN2O2.ClH/c15-13-6-11(8-19-13)14(18)17-12-2-1-9-3-4-16-7-10(9)5-12;/h1-2,5-6,8,16H,3-4,7H2,(H,17,18);1H
InChIKeyXFGBSRNIUZETNO-UHFFFAOYSA-N
XLogP3.36
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
4-cyano-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 121005559
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
CID 119581048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride (CID 75469390) is 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CNCC2)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride?
The InChIKey is XFGBSRNIUZETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2.ClH/c15-13-6-11(8-19-13)14(18)17-12-2-1-9-3-4-16-7-10(9)5-12;/h1-2,5-6,8,16H,3-4,7H2,(H,17,18);1H.
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride?
5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride has a molecular weight of 357.64 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 75469390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).