1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C19H17N3O3 — CID 167987362

IUPAC1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1cccc2c1CCN2C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O3/c1-12-5-4-8-15-13(12)9-10-21(15)17(23)11-22-16-7-3-2-6-14(16)18(24)20-19(22)25/h2-8H,9-11H2,1H3,(H,20,24,25)
InChIKeyBHRXVJOMDZECIR-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.59
Rot. Bonds2

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

1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 167987362) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID167987362
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1cccc2c1CCN2C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O3/c1-12-5-4-8-15-13(12)9-10-21(15)17(23)11-22-16-7-3-2-6-14(16)18(24)20-19(22)25/h2-8H,9-11H2,1H3,(H,20,24,25)
InChIKeyBHRXVJOMDZECIR-UHFFFAOYSA-N
XLogP1.59
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154738311
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-ethylquinazoline-2,4-dione
CID 825310
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
CID 146092841
1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 166217790
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylindole-3-carbaldehyde
CID 783760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 167987362) is 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione is Cc1cccc2c1CCN2C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is BHRXVJOMDZECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-5-4-8-15-13(12)9-10-21(15)17(23)11-22-16-7-3-2-6-14(16)18(24)20-19(22)25/h2-8H,9-11H2,1H3,(H,20,24,25).
What are the key properties of 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 167987362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).