10-benzyl-2-chloro-7-methylacridin-9-one

C21H16ClNO — CID 139792411

IUPAC10-benzyl-2-chloro-7-methylacridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1cc(Cl)ccc1n2Cc1ccccc1
InChIInChI=1S/C21H16ClNO/c1-14-7-9-19-17(11-14)21(24)18-12-16(22)8-10-20(18)23(19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYGIAPCSOSGKQSF-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.16
Rot. Bonds2

About 10-benzyl-2-chloro-7-methylacridin-9-one

10-benzyl-2-chloro-7-methylacridin-9-one (PubChem CID 139792411) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 10-benzyl-2-chloro-7-methylacridin-9-one.

Molecular Properties

Compound Name10-benzyl-2-chloro-7-methylacridin-9-one
PubChem CID139792411
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name10-benzyl-2-chloro-7-methylacridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1cc(Cl)ccc1n2Cc1ccccc1
InChIInChI=1S/C21H16ClNO/c1-14-7-9-19-17(11-14)21(24)18-12-16(22)8-10-20(18)23(19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYGIAPCSOSGKQSF-UHFFFAOYSA-N
XLogP5.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
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N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
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ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-2-chloro-7-methylacridin-9-one?
The IUPAC name of 10-benzyl-2-chloro-7-methylacridin-9-one (CID 139792411) is 10-benzyl-2-chloro-7-methylacridin-9-one.
What is the SMILES notation for 10-benzyl-2-chloro-7-methylacridin-9-one?
The canonical SMILES for 10-benzyl-2-chloro-7-methylacridin-9-one is Cc1ccc2c(c1)c(=O)c1cc(Cl)ccc1n2Cc1ccccc1.
What is the InChIKey of 10-benzyl-2-chloro-7-methylacridin-9-one?
The InChIKey is YGIAPCSOSGKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c1-14-7-9-19-17(11-14)21(24)18-12-16(22)8-10-20(18)23(19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 10-benzyl-2-chloro-7-methylacridin-9-one?
10-benzyl-2-chloro-7-methylacridin-9-one has a molecular weight of 333.82 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-2-chloro-7-methylacridin-9-one is sourced from PubChem (CID 139792411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).