2-(10-methylacridin-9-ylidene)-1-phenylethanone

C22H17NO — CID 3797236

IUPAC2-(10-methylacridin-9-ylidene)-1-phenylethanone
SMILESCN1c2ccccc2C(=CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-23-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)23)15-22(24)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyFYVFEHGEAYJBTI-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.08
Rot. Bonds2

About 2-(10-methylacridin-9-ylidene)-1-phenylethanone

2-(10-methylacridin-9-ylidene)-1-phenylethanone (PubChem CID 3797236) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(10-methylacridin-9-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name2-(10-methylacridin-9-ylidene)-1-phenylethanone
PubChem CID3797236
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-(10-methylacridin-9-ylidene)-1-phenylethanone
SMILESCN1c2ccccc2C(=CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-23-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)23)15-22(24)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyFYVFEHGEAYJBTI-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-fluoro-1-methyl-3-phenacylideneindol-2-one
CID 71551129
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
CID 164576931
(3Z)-3-phenacylidene-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-one
CID 147133396
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
CID 59672036
(3Z)-2-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]isoindol-1-one
CID 11832707
6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one
CID 173468506
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
10-methyl-9-[[5-[(10-methylacridin-9-ylidene)methyl]thiophen-2-yl]methylidene]acridine
CID 102043530
3-ethylidene-1-methylindol-2-one
CID 85157103

Frequently Asked Questions

What is the IUPAC name of 2-(10-methylacridin-9-ylidene)-1-phenylethanone?
The IUPAC name of 2-(10-methylacridin-9-ylidene)-1-phenylethanone (CID 3797236) is 2-(10-methylacridin-9-ylidene)-1-phenylethanone.
What is the SMILES notation for 2-(10-methylacridin-9-ylidene)-1-phenylethanone?
The canonical SMILES for 2-(10-methylacridin-9-ylidene)-1-phenylethanone is CN1c2ccccc2C(=CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(10-methylacridin-9-ylidene)-1-phenylethanone?
The InChIKey is FYVFEHGEAYJBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-23-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)23)15-22(24)16-9-3-2-4-10-16/h2-15H,1H3.
What are the key properties of 2-(10-methylacridin-9-ylidene)-1-phenylethanone?
2-(10-methylacridin-9-ylidene)-1-phenylethanone has a molecular weight of 311.38 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylacridin-9-ylidene)-1-phenylethanone is sourced from PubChem (CID 3797236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).