N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C15H12BrClN2O2 — CID 168877638

IUPACN-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1cc2cc(Br)c(Cl)cc2cn1)C1C2COCC21
InChIInChI=1S/C15H12BrClN2O2/c16-11-1-7-3-13(18-4-8(7)2-12(11)17)19-15(20)14-9-5-21-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,18,19,20)
InChIKeyPDTIZZHQSNZYCC-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.48
Rot. Bonds2

About N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168877638) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168877638
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1cc2cc(Br)c(Cl)cc2cn1)C1C2COCC21
InChIInChI=1S/C15H12BrClN2O2/c16-11-1-7-3-13(18-4-8(7)2-12(11)17)19-15(20)14-9-5-21-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,18,19,20)
InChIKeyPDTIZZHQSNZYCC-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide 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

N-(6-bromo-7-chloroisoquinolin-3-yl)-5-oxaspiro[2.5]octane-2-carboxamide
CID 163277910
(2R)-N-[7-chloro-6-[(1R,6R)-3-oxabicyclo[4.1.0]heptan-7-yl]isoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 172536396
N-[7-chloro-6-[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 172536526
N-[7-chloro-6-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 163277481
N-(6-bromo-8-chloroisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135342509
(1S,6S,7R)-N-[7-chloro-6-[1-[(3S,4S)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl]isoquinolin-3-yl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 172536468
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
N-(6-bromo-8-chloroisoquinolin-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 174998508
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
(1R,2S,3R)-N-[7-chloro-6-[4-[(3R)-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 172721257
(2R,3S)-N-[7-chloro-6-[4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
CID 163277846

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 168877638) is N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1cc2cc(Br)c(Cl)cc2cn1)C1C2COCC21.
What is the InChIKey of N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is PDTIZZHQSNZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-11-1-7-3-13(18-4-8(7)2-12(11)17)19-15(20)14-9-5-21-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,18,19,20).
What are the key properties of N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 367.63 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-7-chloroisoquinolin-3-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168877638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).