(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one

C18H18N2O3 — CID 7116878

IUPAC(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)[C@]1(NCC2)C(=O)Nc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-22-15-9-11-7-8-19-18(13(11)10-16(15)23-2)12-5-3-4-6-14(12)20-17(18)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyDPPDBBGIRZGZKC-SFHVURJKSA-N
MW310.35 g/mol
LogP2.05
Rot. Bonds2

About (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one

(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one (PubChem CID 7116878) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one.

Molecular Properties

Compound Name(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
PubChem CID7116878
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)[C@]1(NCC2)C(=O)Nc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-22-15-9-11-7-8-19-18(13(11)10-16(15)23-2)12-5-3-4-6-14(12)20-17(18)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyDPPDBBGIRZGZKC-SFHVURJKSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The IUPAC name of (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one (CID 7116878) is (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one.
What is the SMILES notation for (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The canonical SMILES for (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one is COc1cc2c(cc1OC)[C@]1(NCC2)C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The InChIKey is DPPDBBGIRZGZKC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-9-11-7-8-19-18(13(11)10-16(15)23-2)12-5-3-4-6-14(12)20-17(18)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
(3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one is sourced from PubChem (CID 7116878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).