3-anilino-2-(4-methoxyphenyl)inden-1-one

C22H17NO2 — CID 788060

IUPAC3-anilino-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17NO2/c1-25-17-13-11-15(12-14-17)20-21(23-16-7-3-2-4-8-16)18-9-5-6-10-19(18)22(20)24/h2-14,23H,1H3
InChIKeyKPWJINFASVEJHI-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.87
Rot. Bonds4

About 3-anilino-2-(4-methoxyphenyl)inden-1-one

3-anilino-2-(4-methoxyphenyl)inden-1-one (PubChem CID 788060) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-anilino-2-(4-methoxyphenyl)inden-1-one.

Molecular Properties

Compound Name3-anilino-2-(4-methoxyphenyl)inden-1-one
PubChem CID788060
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name3-anilino-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17NO2/c1-25-17-13-11-15(12-14-17)20-21(23-16-7-3-2-4-8-16)18-9-5-6-10-19(18)22(20)24/h2-14,23H,1H3
InChIKeyKPWJINFASVEJHI-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3748676
3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
5-Amino-3-(4-Methoxyphenyl)isoquinolin-1(2h)-One
CID 71769170
5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-One
CID 124222414
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 22431219
3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinolin-4-one
CID 67609434
2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one
CID 70683648
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
4-methoxy-N-naphthalen-2-ylbenzamide
CID 224146
2-Propen-1-one, 3-((4-methoxyphenyl)amino)-1-phenyl-, (E)-
CID 2189851

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(4-methoxyphenyl)inden-1-one?
The IUPAC name of 3-anilino-2-(4-methoxyphenyl)inden-1-one (CID 788060) is 3-anilino-2-(4-methoxyphenyl)inden-1-one.
What is the SMILES notation for 3-anilino-2-(4-methoxyphenyl)inden-1-one?
The canonical SMILES for 3-anilino-2-(4-methoxyphenyl)inden-1-one is COc1ccc(C2=C(Nc3ccccc3)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-anilino-2-(4-methoxyphenyl)inden-1-one?
The InChIKey is KPWJINFASVEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-25-17-13-11-15(12-14-17)20-21(23-16-7-3-2-4-8-16)18-9-5-6-10-19(18)22(20)24/h2-14,23H,1H3.
What are the key properties of 3-anilino-2-(4-methoxyphenyl)inden-1-one?
3-anilino-2-(4-methoxyphenyl)inden-1-one has a molecular weight of 327.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(4-methoxyphenyl)inden-1-one is sourced from PubChem (CID 788060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).