N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide

C21H20N2O3 — CID 74244689

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1CNC(=O)c1c[nH]c(=O)c3ccccc13)CCC2
InChIInChI=1S/C21H20N2O3/c1-26-19-10-14-6-4-5-13(14)9-15(19)11-22-21(25)18-12-23-20(24)17-8-3-2-7-16(17)18/h2-3,7-10,12H,4-6,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFHXJBZHTQRTMST-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.96
Rot. Bonds4

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 74244689) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID74244689
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1CNC(=O)c1c[nH]c(=O)c3ccccc13)CCC2
InChIInChI=1S/C21H20N2O3/c1-26-19-10-14-6-4-5-13(14)9-15(19)11-22-21(25)18-12-23-20(24)17-8-3-2-7-16(17)18/h2-3,7-10,12H,4-6,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFHXJBZHTQRTMST-UHFFFAOYSA-N
XLogP2.96
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263
methyl 3-[(1-oxo-2H-isoquinoline-4-carbonyl)amino]propanoate
CID 71701636
N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 18427603
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
N-[(2S)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907038
N-[(2R)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907040
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 136540076
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97192797

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide (CID 74244689) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide is COc1cc2c(cc1CNC(=O)c1c[nH]c(=O)c3ccccc13)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is FHXJBZHTQRTMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-19-10-14-6-4-5-13(14)9-15(19)11-22-21(25)18-12-23-20(24)17-8-3-2-7-16(17)18/h2-3,7-10,12H,4-6,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 74244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).