6-(9-cyano-9H-acridin-10-yl)hexanoic acid

C20H20N2O2 — CID 66643419

IUPAC6-(9-cyano-9H-acridin-10-yl)hexanoic acid
SMILESN#CC1c2ccccc2N(CCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C20H20N2O2/c21-14-17-15-8-3-5-10-18(15)22(13-7-1-2-12-20(23)24)19-11-6-4-9-16(17)19/h3-6,8-11,17H,1-2,7,12-13H2,(H,23,24)
InChIKeySMRQKOQJCNNOGB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.44
Rot. Bonds6

About 6-(9-cyano-9H-acridin-10-yl)hexanoic acid

6-(9-cyano-9H-acridin-10-yl)hexanoic acid (PubChem CID 66643419) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-(9-cyano-9H-acridin-10-yl)hexanoic acid.

Molecular Properties

Compound Name6-(9-cyano-9H-acridin-10-yl)hexanoic acid
PubChem CID66643419
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-(9-cyano-9H-acridin-10-yl)hexanoic acid
SMILESN#CC1c2ccccc2N(CCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C20H20N2O2/c21-14-17-15-8-3-5-10-18(15)22(13-7-1-2-12-20(23)24)19-11-6-4-9-16(17)19/h3-6,8-11,17H,1-2,7,12-13H2,(H,23,24)
InChIKeySMRQKOQJCNNOGB-UHFFFAOYSA-N
XLogP4.44
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(9-cyano-9H-acridin-10-yl)hexanoic acid?
The IUPAC name of 6-(9-cyano-9H-acridin-10-yl)hexanoic acid (CID 66643419) is 6-(9-cyano-9H-acridin-10-yl)hexanoic acid.
What is the SMILES notation for 6-(9-cyano-9H-acridin-10-yl)hexanoic acid?
The canonical SMILES for 6-(9-cyano-9H-acridin-10-yl)hexanoic acid is N#CC1c2ccccc2N(CCCCCC(=O)O)c2ccccc21.
What is the InChIKey of 6-(9-cyano-9H-acridin-10-yl)hexanoic acid?
The InChIKey is SMRQKOQJCNNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-14-17-15-8-3-5-10-18(15)22(13-7-1-2-12-20(23)24)19-11-6-4-9-16(17)19/h3-6,8-11,17H,1-2,7,12-13H2,(H,23,24).
What are the key properties of 6-(9-cyano-9H-acridin-10-yl)hexanoic acid?
6-(9-cyano-9H-acridin-10-yl)hexanoic acid has a molecular weight of 320.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-cyano-9H-acridin-10-yl)hexanoic acid is sourced from PubChem (CID 66643419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).