5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide

C18H13ClN2O2 — CID 156907081

IUPAC5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cncc2ccccc12)C1COc2ccc(Cl)cc21
InChIInChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)
InChIKeyVNWMUCGFGSYBMK-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide

5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 156907081) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID156907081
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cncc2ccccc12)C1COc2ccc(Cl)cc21
InChIInChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)
InChIKeyVNWMUCGFGSYBMK-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
CID 156906879
(4R)-6-chloro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906883
(4R)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 169408281
(4S)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 156906351
6-chloro-N-isoquinolin-4-yl-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 169423149
(4S)-2-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 169408294
1-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 156906871
(4S)-6-chloro-4-N-isoquinolin-4-yl-2-N,2-N-dimethyl-3,4-dihydro-1H-isoquinoline-2,4-dicarboxamide
CID 169408304
6-chloro-2-(cyclopropanecarbonyl)-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 156906303
6-chloro-N-isoquinolin-4-yl-2-(oxolan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 156906297
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
6-chloro-N-isoquinolin-4-yl-2-(2-methylpropylsulfonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 169423142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 156907081) is 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(Nc1cncc2ccccc12)C1COc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is VNWMUCGFGSYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22).
What are the key properties of 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 156907081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).