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

C19H21NO2 — CID 66643396

IUPAC6-(9H-acridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(22)12-2-1-7-13-20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3-6,8-11H,1-2,7,12-14H2,(H,21,22)
InChIKeyPIPXHRHOLMSGRH-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.37
Rot. Bonds6

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

6-(9H-acridin-10-yl)hexanoic acid (PubChem CID 66643396) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-(9H-acridin-10-yl)hexanoic acid.

Molecular Properties

Compound Name6-(9H-acridin-10-yl)hexanoic acid
PubChem CID66643396
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6-(9H-acridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(22)12-2-1-7-13-20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3-6,8-11H,1-2,7,12-14H2,(H,21,22)
InChIKeyPIPXHRHOLMSGRH-UHFFFAOYSA-N
XLogP4.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
6-(9-cyano-9H-acridin-10-yl)hexanoic acid
CID 66643419
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
6-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]hexanoic acid;hydrochloride
CID 67780459
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
10-propyl-9H-acridine
CID 71122947
9H-acridin-10-ylmethanol
CID 23521289

Frequently Asked Questions

What is the IUPAC name of 6-(9H-acridin-10-yl)hexanoic acid?
The IUPAC name of 6-(9H-acridin-10-yl)hexanoic acid (CID 66643396) is 6-(9H-acridin-10-yl)hexanoic acid.
What is the SMILES notation for 6-(9H-acridin-10-yl)hexanoic acid?
The canonical SMILES for 6-(9H-acridin-10-yl)hexanoic acid is O=C(O)CCCCCN1c2ccccc2Cc2ccccc21.
What is the InChIKey of 6-(9H-acridin-10-yl)hexanoic acid?
The InChIKey is PIPXHRHOLMSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)12-2-1-7-13-20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3-6,8-11H,1-2,7,12-14H2,(H,21,22).
What are the key properties of 6-(9H-acridin-10-yl)hexanoic acid?
6-(9H-acridin-10-yl)hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-acridin-10-yl)hexanoic acid is sourced from PubChem (CID 66643396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).