6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one

C19H18N2O3 — CID 42598443

IUPAC6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one
SMILESCOCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21
InChIInChI=1S/C19H18N2O3/c1-23-12-20-8-7-13-9-15(4-6-18(13)20)21-11-14-3-5-16(24-2)10-17(14)19(21)22/h3-10H,11-12H2,1-2H3
InChIKeyQPSCWQHUNXPJTA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.41
Rot. Bonds4

About 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one

6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one (PubChem CID 42598443) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one
PubChem CID42598443
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one
SMILESCOCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21
InChIInChI=1S/C19H18N2O3/c1-23-12-20-8-7-13-9-15(4-6-18(13)20)21-11-14-3-5-16(24-2)10-17(14)19(21)22/h3-10H,11-12H2,1-2H3
InChIKeyQPSCWQHUNXPJTA-UHFFFAOYSA-N
XLogP3.41
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one (CID 42598443) is 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one is COCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21.
What is the InChIKey of 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one?
The InChIKey is QPSCWQHUNXPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-12-20-8-7-13-9-15(4-6-18(13)20)21-11-14-3-5-16(24-2)10-17(14)19(21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one?
6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one has a molecular weight of 322.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one is sourced from PubChem (CID 42598443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).