3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C24H22N2O4 — CID 112774148

IUPAC3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2c(CN3C(=O)NC4(CCc5ccccc5C4)C3=O)cc(=O)oc2c1C
InChIInChI=1S/C24H22N2O4/c1-14-7-8-19-18(11-20(27)30-21(19)15(14)2)13-26-22(28)24(25-23(26)29)10-9-16-5-3-4-6-17(16)12-24/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyXGEWXLAFUYRWHY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.39
Rot. Bonds2

About 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 112774148) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID112774148
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2c(CN3C(=O)NC4(CCc5ccccc5C4)C3=O)cc(=O)oc2c1C
InChIInChI=1S/C24H22N2O4/c1-14-7-8-19-18(11-20(27)30-21(19)15(14)2)13-26-22(28)24(25-23(26)29)10-9-16-5-3-4-6-17(16)12-24/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyXGEWXLAFUYRWHY-UHFFFAOYSA-N
XLogP3.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 138996814
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 27188324
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112787626
3'-[(2-nitrophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 84601341
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 2099268
4-[(4-benzhydrylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2450878
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 2466972
4-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759

Frequently Asked Questions

What is the IUPAC name of 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 112774148) is 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is Cc1ccc2c(CN3C(=O)NC4(CCc5ccccc5C4)C3=O)cc(=O)oc2c1C.
What is the InChIKey of 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is XGEWXLAFUYRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14-7-8-19-18(11-20(27)30-21(19)15(14)2)13-26-22(28)24(25-23(26)29)10-9-16-5-3-4-6-17(16)12-24/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29).
What are the key properties of 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 402.45 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 112774148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).