N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide

C24H17N3O3 — CID 59579507

IUPACN-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)n(Cc3cccnc3)ccc12)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O3/c28-23(22-13-17-6-1-2-9-21(17)30-22)26-20-8-3-7-19-18(20)10-12-27(24(19)29)15-16-5-4-11-25-14-16/h1-14H,15H2,(H,26,28)
InChIKeyQVRPDRXRRPDYKA-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.44
Rot. Bonds4

About N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide

N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 59579507) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID59579507
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)n(Cc3cccnc3)ccc12)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O3/c28-23(22-13-17-6-1-2-9-21(17)30-22)26-20-8-3-7-19-18(20)10-12-27(24(19)29)15-16-5-4-11-25-14-16/h1-14H,15H2,(H,26,28)
InChIKeyQVRPDRXRRPDYKA-UHFFFAOYSA-N
XLogP4.44
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzothiophen-3-yl)-N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]acetamide
CID 59579262
N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
CID 58930599
5-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-1-benzofuran-2-carboxamide
CID 24760503
N-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinolin-5-yl]-5-phenylfuran-2-carboxamide
CID 59579294
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
2-[(4-methylsulfanylphenyl)methyl]-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-7-carboxamide
CID 142859654
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide (CID 59579507) is N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc2c(=O)n(Cc3cccnc3)ccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QVRPDRXRRPDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(22-13-17-6-1-2-9-21(17)30-22)26-20-8-3-7-19-18(20)10-12-27(24(19)29)15-16-5-4-11-25-14-16/h1-14H,15H2,(H,26,28).
What are the key properties of N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide?
N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59579507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).