methyl 3-(9H-acridin-10-yl)propanoate

C17H17NO2 — CID 129155450

IUPACmethyl 3-(9H-acridin-10-yl)propanoate
SMILESCOC(=O)CCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H17NO2/c1-20-17(19)10-11-18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-9H,10-12H2,1H3
InChIKeyFJCGUWVDAOXYLJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds3

About methyl 3-(9H-acridin-10-yl)propanoate

methyl 3-(9H-acridin-10-yl)propanoate (PubChem CID 129155450) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-(9H-acridin-10-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(9H-acridin-10-yl)propanoate
PubChem CID129155450
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 3-(9H-acridin-10-yl)propanoate
SMILESCOC(=O)CCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H17NO2/c1-20-17(19)10-11-18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-9H,10-12H2,1H3
InChIKeyFJCGUWVDAOXYLJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(9H-acridin-10-yl)propanoate?
The IUPAC name of methyl 3-(9H-acridin-10-yl)propanoate (CID 129155450) is methyl 3-(9H-acridin-10-yl)propanoate.
What is the SMILES notation for methyl 3-(9H-acridin-10-yl)propanoate?
The canonical SMILES for methyl 3-(9H-acridin-10-yl)propanoate is COC(=O)CCN1c2ccccc2Cc2ccccc21.
What is the InChIKey of methyl 3-(9H-acridin-10-yl)propanoate?
The InChIKey is FJCGUWVDAOXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)10-11-18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-9H,10-12H2,1H3.
What are the key properties of methyl 3-(9H-acridin-10-yl)propanoate?
methyl 3-(9H-acridin-10-yl)propanoate has a molecular weight of 267.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(9H-acridin-10-yl)propanoate is sourced from PubChem (CID 129155450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).