N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C22H20FN3O3 — CID 166526325

IUPACN-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)C1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C22H20FN3O3/c1-26(22(28)17-8-12-4-2-3-5-16(12)24-17)19-11-29-10-18-20(19)14-7-6-13(23)9-15(14)21(27)25-18/h2-7,9,17,19,24H,8,10-11H2,1H3,(H,25,27)
InChIKeyWUZNVJVIOBYBET-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.73
Rot. Bonds2

About N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 166526325) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID166526325
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)C1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C22H20FN3O3/c1-26(22(28)17-8-12-4-2-3-5-16(12)24-17)19-11-29-10-18-20(19)14-7-6-13(23)9-15(14)21(27)25-18/h2-7,9,17,19,24H,8,10-11H2,1H3,(H,25,27)
InChIKeyWUZNVJVIOBYBET-UHFFFAOYSA-N
XLogP2.73
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 166526325) is N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(C(=O)C1Cc2ccccc2N1)C1COCc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is WUZNVJVIOBYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-26(22(28)17-8-12-4-2-3-5-16(12)24-17)19-11-29-10-18-20(19)14-7-6-13(23)9-15(14)21(27)25-18/h2-7,9,17,19,24H,8,10-11H2,1H3,(H,25,27).
What are the key properties of N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 166526325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).