7-anilino-4-methylchromen-2-one

C16H13NO2 — CID 804341

IUPAC7-anilino-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Nc3ccccc3)ccc12
InChIInChI=1S/C16H13NO2/c1-11-9-16(18)19-15-10-13(7-8-14(11)15)17-12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeyOCAIEUHJBCIECP-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.85
Rot. Bonds2

About 7-anilino-4-methylchromen-2-one

7-anilino-4-methylchromen-2-one (PubChem CID 804341) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 7-anilino-4-methylchromen-2-one.

Molecular Properties

Compound Name7-anilino-4-methylchromen-2-one
PubChem CID804341
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name7-anilino-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Nc3ccccc3)ccc12
InChIInChI=1S/C16H13NO2/c1-11-9-16(18)19-15-10-13(7-8-14(11)15)17-12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeyOCAIEUHJBCIECP-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one
CID 169382421
1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide
CID 139187516
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
(2S)-4-amino-2-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 127256276
7-(4-fluorobutylamino)-4-methylchromen-2-one
CID 166193275
4-methyl-7-(pentylamino)chromen-2-one
CID 88996425
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
2-[[(4-methyl-2-oxochromen-7-yl)amino]methyl]benzonitrile
CID 42919621

Frequently Asked Questions

What is the IUPAC name of 7-anilino-4-methylchromen-2-one?
The IUPAC name of 7-anilino-4-methylchromen-2-one (CID 804341) is 7-anilino-4-methylchromen-2-one.
What is the SMILES notation for 7-anilino-4-methylchromen-2-one?
The canonical SMILES for 7-anilino-4-methylchromen-2-one is Cc1cc(=O)oc2cc(Nc3ccccc3)ccc12.
What is the InChIKey of 7-anilino-4-methylchromen-2-one?
The InChIKey is OCAIEUHJBCIECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-9-16(18)19-15-10-13(7-8-14(11)15)17-12-5-3-2-4-6-12/h2-10,17H,1H3.
What are the key properties of 7-anilino-4-methylchromen-2-one?
7-anilino-4-methylchromen-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-4-methylchromen-2-one is sourced from PubChem (CID 804341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).