3-(2-methylanilino)benzo[c]chromen-6-one

C20H15NO2 — CID 134233643

IUPAC3-(2-methylanilino)benzo[c]chromen-6-one
SMILESCc1ccccc1Nc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C20H15NO2/c1-13-6-2-5-9-18(13)21-14-10-11-16-15-7-3-4-8-17(15)20(22)23-19(16)12-14/h2-12,21H,1H3
InChIKeyVRLIGJKURDQLEJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.00
Rot. Bonds2

About 3-(2-methylanilino)benzo[c]chromen-6-one

3-(2-methylanilino)benzo[c]chromen-6-one (PubChem CID 134233643) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-methylanilino)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(2-methylanilino)benzo[c]chromen-6-one
PubChem CID134233643
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-(2-methylanilino)benzo[c]chromen-6-one
SMILESCc1ccccc1Nc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C20H15NO2/c1-13-6-2-5-9-18(13)21-14-10-11-16-15-7-3-4-8-17(15)20(22)23-19(16)12-14/h2-12,21H,1H3
InChIKeyVRLIGJKURDQLEJ-UHFFFAOYSA-N
XLogP5.00
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(2-methylanilino)benzo[c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
CID 141358200
7-anilino-4-methylchromen-2-one
CID 804341
N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
CID 167635607
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
naphtho[2,3-c]isochromen-5-one
CID 11379597
4-(2-methylanilino)benzenesulfonic acid
CID 53426443
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
N-triphenylen-2-yldibenzofuran-1-amine
CID 162427617
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598411
7-(benzylamino)-3,4-dimethylchromen-2-one
CID 10826534

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)benzo[c]chromen-6-one?
The IUPAC name of 3-(2-methylanilino)benzo[c]chromen-6-one (CID 134233643) is 3-(2-methylanilino)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(2-methylanilino)benzo[c]chromen-6-one?
The canonical SMILES for 3-(2-methylanilino)benzo[c]chromen-6-one is Cc1ccccc1Nc1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-methylanilino)benzo[c]chromen-6-one?
The InChIKey is VRLIGJKURDQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-13-6-2-5-9-18(13)21-14-10-11-16-15-7-3-4-8-17(15)20(22)23-19(16)12-14/h2-12,21H,1H3.
What are the key properties of 3-(2-methylanilino)benzo[c]chromen-6-one?
3-(2-methylanilino)benzo[c]chromen-6-one has a molecular weight of 301.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)benzo[c]chromen-6-one is sourced from PubChem (CID 134233643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).