3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione

C25H25N3O3 — CID 17067758

IUPAC3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21
InChIInChI=1S/C25H25N3O3/c1-16-23(18-11-5-7-13-20(18)26-16)22(29)15-27-21-14-8-6-12-19(21)24(30)28(25(27)31)17-9-3-2-4-10-17/h5-8,11-14,17,26H,2-4,9-10,15H2,1H3
InChIKeyUHLGUAWMLKOELW-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.34
Rot. Bonds4

About 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione

3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 17067758) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID17067758
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21
InChIInChI=1S/C25H25N3O3/c1-16-23(18-11-5-7-13-20(18)26-16)22(29)15-27-21-14-8-6-12-19(21)24(30)28(25(27)31)17-9-3-2-4-10-17/h5-8,11-14,17,26H,2-4,9-10,15H2,1H3
InChIKeyUHLGUAWMLKOELW-UHFFFAOYSA-N
XLogP4.34
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione 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

2-(3-cyclopentyl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 6619229
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
(3aS,7aS)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2442421
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
2-[3-[(5R)-9-azabicyclo[3.3.1]nonan-3-yl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 144657500
(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2703375

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 17067758) is 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione is Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21.
What is the InChIKey of 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is UHLGUAWMLKOELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-23(18-11-5-7-13-20(18)26-16)22(29)15-27-21-14-8-6-12-19(21)24(30)28(25(27)31)17-9-3-2-4-10-17/h5-8,11-14,17,26H,2-4,9-10,15H2,1H3.
What are the key properties of 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione?
3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 17067758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).