9-propylacridine

C16H15N — CID 606114

IUPAC9-propylacridine
SMILESCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C16H15N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16/h3-6,8-11H,2,7H2,1H3
InChIKeyZSGMOQYDNJRFDX-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.34
Rot. Bonds2

About 9-propylacridine

9-propylacridine (PubChem CID 606114) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 9-propylacridine.

Molecular Properties

Compound Name9-propylacridine
PubChem CID606114
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name9-propylacridine
SMILESCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C16H15N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16/h3-6,8-11H,2,7H2,1H3
InChIKeyZSGMOQYDNJRFDX-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Quinoline
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Pyrvinium
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6-Methylquinoline
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Acridine Orange Base
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9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842
2,9-Dimethyl-1,10-phenanthroline
CID 65237

Frequently Asked Questions

What is the IUPAC name of 9-propylacridine?
The IUPAC name of 9-propylacridine (CID 606114) is 9-propylacridine.
What is the SMILES notation for 9-propylacridine?
The canonical SMILES for 9-propylacridine is CCCc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-propylacridine?
The InChIKey is ZSGMOQYDNJRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 9-propylacridine?
9-propylacridine has a molecular weight of 221.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylacridine is sourced from PubChem (CID 606114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).