10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one

C22H19NO3 — CID 25141164

IUPAC10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1
InChIInChI=1S/C22H19NO3/c1-25-16-11-15(12-17(13-16)26-2)14-23-20-9-5-3-7-18(20)22(24)19-8-4-6-10-21(19)23/h3-13H,14H2,1-2H3
InChIKeyIKGXTINFOCFGMP-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.22
Rot. Bonds4

About 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one

10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one (PubChem CID 25141164) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one.

Molecular Properties

Compound Name10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
PubChem CID25141164
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1
InChIInChI=1S/C22H19NO3/c1-25-16-11-15(12-17(13-16)26-2)14-23-20-9-5-3-7-18(20)22(24)19-8-4-6-10-21(19)23/h3-13H,14H2,1-2H3
InChIKeyIKGXTINFOCFGMP-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
2-Methoxy-9(10H)-acridone
CID 407032
N-((2S,4R)-1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 7097680
1,3-Dimethoxy-10-methyl-9(10H)-acridinone
CID 83122
(3,5-Dimethoxyphenyl)(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
3-Benzoyl-1-benzyl-6-methoxy-1,4-dihydroquinolin-4-one
CID 15945541
9,10-Dihydro-4-methoxy-N-(4-phenoxybutyl)acridin-9-one
CID 42631252
1-(3-Methoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 755245
N-((2R,4S)-1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 7097677
3-methyl-2-[4-[3-(2-morpholinoethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 70681558
3-Benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-dihydroquinolin-4-one
CID 15945540
2-[2-(4-Methoxyphenyl)ethynyl]-10-methylacridin-9-one
CID 24818814

Frequently Asked Questions

What is the IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one?
The IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one (CID 25141164) is 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one.
What is the SMILES notation for 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one?
The canonical SMILES for 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one is COc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1.
What is the InChIKey of 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one?
The InChIKey is IKGXTINFOCFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-16-11-15(12-17(13-16)26-2)14-23-20-9-5-3-7-18(20)22(24)19-8-4-6-10-21(19)23/h3-13H,14H2,1-2H3.
What are the key properties of 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one?
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one has a molecular weight of 345.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one is sourced from PubChem (CID 25141164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).