N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide

C23H25N3O3 — CID 166211990

IUPACN-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
SMILESO=C1NCCc2ccc(CNC(=O)N3CCOC4(CCc5ccccc54)C3)cc21
InChIInChI=1S/C23H25N3O3/c27-21-19-13-16(5-6-17(19)8-10-24-21)14-25-22(28)26-11-12-29-23(15-26)9-7-18-3-1-2-4-20(18)23/h1-6,13H,7-12,14-15H2,(H,24,27)(H,25,28)
InChIKeyUGESZXBGXJJOJM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.36
Rot. Bonds2

About N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide

N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide (PubChem CID 166211990) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide.

Molecular Properties

Compound NameN-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
PubChem CID166211990
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
SMILESO=C1NCCc2ccc(CNC(=O)N3CCOC4(CCc5ccccc54)C3)cc21
InChIInChI=1S/C23H25N3O3/c27-21-19-13-16(5-6-17(19)8-10-24-21)14-25-22(28)26-11-12-29-23(15-26)9-7-18-3-1-2-4-20(18)23/h1-6,13H,7-12,14-15H2,(H,24,27)(H,25,28)
InChIKeyUGESZXBGXJJOJM-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The IUPAC name of N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide (CID 166211990) is N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide.
What is the SMILES notation for N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The canonical SMILES for N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide is O=C1NCCc2ccc(CNC(=O)N3CCOC4(CCc5ccccc54)C3)cc21.
What is the InChIKey of N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The InChIKey is UGESZXBGXJJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-21-19-13-16(5-6-17(19)8-10-24-21)14-25-22(28)26-11-12-29-23(15-26)9-7-18-3-1-2-4-20(18)23/h1-6,13H,7-12,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide is sourced from PubChem (CID 166211990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).