1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole

C21H19Cl2NO — CID 23906161

IUPAC1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCc3ccccc31)O2
InChIInChI=1S/C21H19Cl2NO/c22-17-12-15-11-16-6-3-4-9-21(16,25-20(15)18(23)13-17)24-10-8-14-5-1-2-7-19(14)24/h1-2,5,7,11-13H,3-4,6,8-10H2
InChIKeyWSVHANQDMLVXSJ-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.10
Rot. Bonds1

About 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole

1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole (PubChem CID 23906161) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole
PubChem CID23906161
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCc3ccccc31)O2
InChIInChI=1S/C21H19Cl2NO/c22-17-12-15-11-16-6-3-4-9-21(16,25-20(15)18(23)13-17)24-10-8-14-5-1-2-7-19(14)24/h1-2,5,7,11-13H,3-4,6,8-10H2
InChIKeyWSVHANQDMLVXSJ-UHFFFAOYSA-N
XLogP6.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline
CID 23762587
1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)azepane
CID 23731486
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
CID 10655190
2,3-dihydroindol-1-ylsilane
CID 149251229
1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole
CID 22637900
7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one
CID 4615045
(2,4-dichloro-6-hydroxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155527744
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983
3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
CID 84795452
[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078746
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864788

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole?
The IUPAC name of 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole (CID 23906161) is 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole is Clc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCc3ccccc31)O2.
What is the InChIKey of 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole?
The InChIKey is WSVHANQDMLVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c22-17-12-15-11-16-6-3-4-9-21(16,25-20(15)18(23)13-17)24-10-8-14-5-1-2-7-19(14)24/h1-2,5,7,11-13H,3-4,6,8-10H2.
What are the key properties of 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole?
1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole has a molecular weight of 372.30 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole is sourced from PubChem (CID 23906161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).