5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one

C18H17ClN2O3 — CID 155102010

IUPAC5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)C1(NCC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O3/c1-23-15-7-10-5-6-20-18(12(10)9-16(15)24-2)13-8-11(19)3-4-14(13)21-17(18)22/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyIGLDNFBMHLMBSP-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one

5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one (PubChem CID 155102010) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one.

Molecular Properties

Compound Name5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
PubChem CID155102010
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)C1(NCC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O3/c1-23-15-7-10-5-6-20-18(12(10)9-16(15)24-2)13-8-11(19)3-4-14(13)21-17(18)22/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyIGLDNFBMHLMBSP-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The IUPAC name of 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one (CID 155102010) is 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one.
What is the SMILES notation for 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The canonical SMILES for 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one is COc1cc2c(cc1OC)C1(NCC2)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
The InChIKey is IGLDNFBMHLMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-23-15-7-10-5-6-20-18(12(10)9-16(15)24-2)13-8-11(19)3-4-14(13)21-17(18)22/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one?
5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one is sourced from PubChem (CID 155102010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).