10-(6-chlorohexyl)acridin-9-one

C19H20ClNO — CID 44566069

IUPAC10-(6-chlorohexyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCCCCl)c2ccccc12
InChIInChI=1S/C19H20ClNO/c20-13-7-1-2-8-14-21-17-11-5-3-9-15(17)19(22)16-10-4-6-12-18(16)21/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyXHRWOVFJCJNDFX-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.95
Rot. Bonds6

About 10-(6-chlorohexyl)acridin-9-one

10-(6-chlorohexyl)acridin-9-one (PubChem CID 44566069) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 10-(6-chlorohexyl)acridin-9-one.

Molecular Properties

Compound Name10-(6-chlorohexyl)acridin-9-one
PubChem CID44566069
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name10-(6-chlorohexyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCCCCl)c2ccccc12
InChIInChI=1S/C19H20ClNO/c20-13-7-1-2-8-14-21-17-11-5-3-9-15(17)19(22)16-10-4-6-12-18(16)21/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyXHRWOVFJCJNDFX-UHFFFAOYSA-N
XLogP4.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(6-chlorohexyl)acridin-9-one?
The IUPAC name of 10-(6-chlorohexyl)acridin-9-one (CID 44566069) is 10-(6-chlorohexyl)acridin-9-one.
What is the SMILES notation for 10-(6-chlorohexyl)acridin-9-one?
The canonical SMILES for 10-(6-chlorohexyl)acridin-9-one is O=c1c2ccccc2n(CCCCCCCl)c2ccccc12.
What is the InChIKey of 10-(6-chlorohexyl)acridin-9-one?
The InChIKey is XHRWOVFJCJNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-13-7-1-2-8-14-21-17-11-5-3-9-15(17)19(22)16-10-4-6-12-18(16)21/h3-6,9-12H,1-2,7-8,13-14H2.
What are the key properties of 10-(6-chlorohexyl)acridin-9-one?
10-(6-chlorohexyl)acridin-9-one has a molecular weight of 313.83 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-chlorohexyl)acridin-9-one is sourced from PubChem (CID 44566069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).