5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol

C17H13ClN2O — CID 91519522

IUPAC5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
SMILESCn1ccc2ccc(-n3cc4cc(Cl)ccc4c3O)cc21
InChIInChI=1S/C17H13ClN2O/c1-19-7-6-11-2-4-14(9-16(11)19)20-10-12-8-13(18)3-5-15(12)17(20)21/h2-10,21H,1H3
InChIKeyNIWUPORFFNCFNA-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.48
Rot. Bonds1

About 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol

5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol (PubChem CID 91519522) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
PubChem CID91519522
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
SMILESCn1ccc2ccc(-n3cc4cc(Cl)ccc4c3O)cc21
InChIInChI=1S/C17H13ClN2O/c1-19-7-6-11-2-4-14(9-16(11)19)20-10-12-8-13(18)3-5-15(12)17(20)21/h2-10,21H,1H3
InChIKeyNIWUPORFFNCFNA-UHFFFAOYSA-N
XLogP4.48
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol 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

2-(1-methylindol-5-yl)isoindol-1-ol
CID 91339272
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 90702021
N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
CID 91411221
6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
CID 91599809
2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
CID 91609054
5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91040837
2-[4-(6-chloro-1-hydroxyisoindol-2-yl)phenyl]propanoic acid
CID 90962620
7-chloro-1-hydroxy-2-methylisoquinolin-3-one
CID 54183727
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58411045
1-methylindole-5,6-diol;hydrobromide
CID 22287706
2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid
CID 91397704
tert-butyl 2-[4-(6-chloro-1-hydroxyisoindol-2-yl)phenyl]propanoate
CID 90759658

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol?
The IUPAC name of 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol (CID 91519522) is 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol.
What is the SMILES notation for 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol?
The canonical SMILES for 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol is Cn1ccc2ccc(-n3cc4cc(Cl)ccc4c3O)cc21.
What is the InChIKey of 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol?
The InChIKey is NIWUPORFFNCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-19-7-6-11-2-4-14(9-16(11)19)20-10-12-8-13(18)3-5-15(12)17(20)21/h2-10,21H,1H3.
What are the key properties of 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol?
5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol has a molecular weight of 296.76 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol is sourced from PubChem (CID 91519522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).