(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone

C19H19NO4 — CID 45113776

IUPAC(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-20-10-9-12-11-13(5-7-15(12)20)17(21)14-6-8-16(22-2)19(24-4)18(14)23-3/h5-11H,1-4H3
InChIKeyFPLKIWKUDKJVHR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.44
Rot. Bonds5

About (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone

(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 45113776) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID45113776
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-20-10-9-12-11-13(5-7-15(12)20)17(21)14-6-8-16(22-2)19(24-4)18(14)23-3/h5-11H,1-4H3
InChIKeyFPLKIWKUDKJVHR-UHFFFAOYSA-N
XLogP3.44
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 45113776) is (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3c(ccn3C)c2)c(OC)c1OC.
What is the InChIKey of (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is FPLKIWKUDKJVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-20-10-9-12-11-13(5-7-15(12)20)17(21)14-6-8-16(22-2)19(24-4)18(14)23-3/h5-11H,1-4H3.
What are the key properties of (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone?
(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 325.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 45113776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).