2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C29H23ClN2O3 — CID 139908252

IUPAC2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCNc1ccc2c(c1)Oc1ccc(Nc3ccccc3Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C29H23ClN2O3/c1-2-15-31-18-11-13-22-27(17-18)34-26-14-12-19(32-25-10-6-5-9-24(25)30)16-23(26)29(22)21-8-4-3-7-20(21)28(33)35-29/h3-14,16-17,31-32H,2,15H2,1H3
InChIKeySRTSSQHJDXTZNU-UHFFFAOYSA-N
MW482.97 g/mol
LogP7.47
Rot. Bonds5

About 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139908252) has the molecular formula C29H23ClN2O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139908252
Molecular FormulaC29H23ClN2O3
Molecular Weight482.97 g/mol
Exact Mass482.14
IUPAC Name2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCNc1ccc2c(c1)Oc1ccc(Nc3ccccc3Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C29H23ClN2O3/c1-2-15-31-18-11-13-22-27(17-18)34-26-14-12-19(32-25-10-6-5-9-24(25)30)16-23(26)29(22)21-8-4-3-7-20(21)28(33)35-29/h3-14,16-17,31-32H,2,15H2,1H3
InChIKeySRTSSQHJDXTZNU-UHFFFAOYSA-N
XLogP7.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3'-(butylamino)-7'-(2-chloroanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139972196
(3S)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386376
(3R)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386375
2'-(4-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15597022
6'-(2-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154599804
(3S)-2'-(3-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 40737025
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647861
3'-chloro-2'-(2-chloroanilino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647869
methyl 2-[[6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]amino]benzoate
CID 15176948
1'-(2-chloroanilino)-6'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761193
2'-(3-ethyl-2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727143

Frequently Asked Questions

What is the IUPAC name of 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139908252) is 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCCNc1ccc2c(c1)Oc1ccc(Nc3ccccc3Cl)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is SRTSSQHJDXTZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O3/c1-2-15-31-18-11-13-22-27(17-18)34-26-14-12-19(32-25-10-6-5-9-24(25)30)16-23(26)29(22)21-8-4-3-7-20(21)28(33)35-29/h3-14,16-17,31-32H,2,15H2,1H3.
What are the key properties of 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 482.97 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139908252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).