4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one

C17H13ClN2O — CID 59543316

IUPAC4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one
SMILESCn1ccc2ccc(N3Cc4c(Cl)cccc4C3=O)cc21
InChIInChI=1S/C17H13ClN2O/c1-19-8-7-11-5-6-12(9-16(11)19)20-10-14-13(17(20)21)3-2-4-15(14)18/h2-9H,10H2,1H3
InChIKeyRCHCFVYBRIMXFS-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.99
Rot. Bonds1

About 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one

4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one (PubChem CID 59543316) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one
PubChem CID59543316
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one
SMILESCn1ccc2ccc(N3Cc4c(Cl)cccc4C3=O)cc21
InChIInChI=1S/C17H13ClN2O/c1-19-8-7-11-5-6-12(9-16(11)19)20-10-14-13(17(20)21)3-2-4-15(14)18/h2-9H,10H2,1H3
InChIKeyRCHCFVYBRIMXFS-UHFFFAOYSA-N
XLogP3.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one?
The IUPAC name of 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one (CID 59543316) is 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one is Cn1ccc2ccc(N3Cc4c(Cl)cccc4C3=O)cc21.
What is the InChIKey of 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one?
The InChIKey is RCHCFVYBRIMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-19-8-7-11-5-6-12(9-16(11)19)20-10-14-13(17(20)21)3-2-4-15(14)18/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one?
4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one has a molecular weight of 296.76 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).