4-(3-methylanilino)benzo[h]chromen-2-one

C20H15NO2 — CID 46911171

IUPAC4-(3-methylanilino)benzo[h]chromen-2-one
SMILESCc1cccc(Nc2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C20H15NO2/c1-13-5-4-7-15(11-13)21-18-12-19(22)23-20-16-8-3-2-6-14(16)9-10-17(18)20/h2-12,21H,1H3
InChIKeyOMXAXHCDNVHHEP-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.00
Rot. Bonds2

About 4-(3-methylanilino)benzo[h]chromen-2-one

4-(3-methylanilino)benzo[h]chromen-2-one (PubChem CID 46911171) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(3-methylanilino)benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-(3-methylanilino)benzo[h]chromen-2-one
PubChem CID46911171
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name4-(3-methylanilino)benzo[h]chromen-2-one
SMILESCc1cccc(Nc2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C20H15NO2/c1-13-5-4-7-15(11-13)21-18-12-19(22)23-20-16-8-3-2-6-14(16)9-10-17(18)20/h2-12,21H,1H3
InChIKeyOMXAXHCDNVHHEP-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'}

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Related Compounds

5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 209910
N-(2-oxo-2H-chromen-6-yl)naphthalene-2-carboxamide
CID 965737
3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide
CID 965782
4-(2-toluidino)-2H-chromen-2-one
CID 848620
7-{[2-(3,4-Dimethyl-phenylamino)-ethylamino]-methyl}-chromen-2-one
CID 9905246
4-Amino-2h-benzo[h]chromen-2-one
CID 54585032
3-Acetoxy-2-naphthanilide
CID 96045
4-(2,4-dimethylanilino)-2H-chromen-2-one
CID 804471
4-[(3,5-dimethylanilino)methyl]-6-hydroxy-7-phenyl-2H-chromen-2-one
CID 3464731
4-(Cyclohexylamino)benzo[h]chromen-2-one
CID 11033696
4-(4-Methoxyanilino)benzo[h]chromen-2-one
CID 46911170
4-(Naphthalen-1-ylamino)benzo[h]chromen-2-one
CID 49788686

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)benzo[h]chromen-2-one?
The IUPAC name of 4-(3-methylanilino)benzo[h]chromen-2-one (CID 46911171) is 4-(3-methylanilino)benzo[h]chromen-2-one.
What is the SMILES notation for 4-(3-methylanilino)benzo[h]chromen-2-one?
The canonical SMILES for 4-(3-methylanilino)benzo[h]chromen-2-one is Cc1cccc(Nc2cc(=O)oc3c2ccc2ccccc23)c1.
What is the InChIKey of 4-(3-methylanilino)benzo[h]chromen-2-one?
The InChIKey is OMXAXHCDNVHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-13-5-4-7-15(11-13)21-18-12-19(22)23-20-16-8-3-2-6-14(16)9-10-17(18)20/h2-12,21H,1H3.
What are the key properties of 4-(3-methylanilino)benzo[h]chromen-2-one?
4-(3-methylanilino)benzo[h]chromen-2-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 4-(3-methylanilino)benzo[h]chromen-2-one is sourced from PubChem (CID 46911171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).