3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione

C16H16N2O4 — CID 8014740

IUPAC3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCCc1ccc2c(CN3C(=O)CN(C)C3=O)cc(=O)oc2c1
InChIInChI=1S/C16H16N2O4/c1-3-10-4-5-12-11(7-15(20)22-13(12)6-10)8-18-14(19)9-17(2)16(18)21/h4-7H,3,8-9H2,1-2H3
InChIKeyKGCDWUBLJFDRFK-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.75
Rot. Bonds3

About 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 8014740) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID8014740
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCCc1ccc2c(CN3C(=O)CN(C)C3=O)cc(=O)oc2c1
InChIInChI=1S/C16H16N2O4/c1-3-10-4-5-12-11(7-15(20)22-13(12)6-10)8-18-14(19)9-17(2)16(18)21/h4-7H,3,8-9H2,1-2H3
InChIKeyKGCDWUBLJFDRFK-UHFFFAOYSA-N
XLogP1.75
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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7-ethyl-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-2-one
CID 110880993
N,N-diethyl-4-[(7-ethyl-2-oxochromen-4-yl)methyl]piperazine-1-sulfonamide
CID 42102557
7-ethyl-4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 9436274
7-ethyl-4-methylchromen-2-one
CID 5160585
3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1,2,3-benzotriazin-4-one
CID 9010709
5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 78644009
4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-ethylchromen-2-one
CID 55351314
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-ethylchromen-2-one
CID 2101655
8-chloro-7-[(7-ethyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 8018003

Frequently Asked Questions

What is the IUPAC name of 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 8014740) is 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione is CCc1ccc2c(CN3C(=O)CN(C)C3=O)cc(=O)oc2c1.
What is the InChIKey of 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is KGCDWUBLJFDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-10-4-5-12-11(7-15(20)22-13(12)6-10)8-18-14(19)9-17(2)16(18)21/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 300.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8014740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).