1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione

C21H21N3O3 — CID 166217790

IUPAC1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESCC1(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-21(2)13-24(17-10-6-4-8-15(17)21)18(25)11-12-23-16-9-5-3-7-14(16)19(26)22-20(23)27/h3-10H,11-13H2,1-2H3,(H,22,26,27)
InChIKeyDGEOPZLGHKNKFB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.40
Rot. Bonds3

About 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione

1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 166217790) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
PubChem CID166217790
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESCC1(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-21(2)13-24(17-10-6-4-8-15(17)21)18(25)11-12-23-16-9-5-3-7-14(16)19(26)22-20(23)27/h3-10H,11-13H2,1-2H3,(H,22,26,27)
InChIKeyDGEOPZLGHKNKFB-UHFFFAOYSA-N
XLogP2.40
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 166210001
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione (CID 166217790) is 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione is CC1(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is DGEOPZLGHKNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-21(2)13-24(17-10-6-4-8-15(17)21)18(25)11-12-23-16-9-5-3-7-14(16)19(26)22-20(23)27/h3-10H,11-13H2,1-2H3,(H,22,26,27).
What are the key properties of 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 166217790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).