5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide

C14H11BrN2O3 — CID 90524797

IUPAC5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Br)o1
InChIInChI=1S/C14H11BrN2O3/c15-12-4-3-11(20-12)14(19)17-9-2-1-8-5-6-16-13(18)10(8)7-9/h1-4,7H,5-6H2,(H,16,18)(H,17,19)
InChIKeyQVZSXRYDHGIMIP-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide

5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide (PubChem CID 90524797) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
PubChem CID90524797
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Br)o1
InChIInChI=1S/C14H11BrN2O3/c15-12-4-3-11(20-12)14(19)17-9-2-1-8-5-6-16-13(18)10(8)7-9/h1-4,7H,5-6H2,(H,16,18)(H,17,19)
InChIKeyQVZSXRYDHGIMIP-UHFFFAOYSA-N
XLogP2.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
CID 90524773
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 56764986

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide (CID 90524797) is 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide?
The InChIKey is QVZSXRYDHGIMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-12-4-3-11(20-12)14(19)17-9-2-1-8-5-6-16-13(18)10(8)7-9/h1-4,7H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide?
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.58, 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-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 90524797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).