[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H17N3O5 — CID 9405935

IUPAC[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3cnc4ccccc4c3=O)cc21
InChIInChI=1S/C21H17N3O5/c1-12-15-8-13(6-7-17(15)23-20(12)27)18(25)10-29-19(26)9-24-11-22-16-5-3-2-4-14(16)21(24)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)/t12-/m0/s1
InChIKeyLTQIUTMSZXZQNI-LBPRGKRZSA-N
MW391.38 g/mol
LogP1.88
Rot. Bonds5

About [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 9405935) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID9405935
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3cnc4ccccc4c3=O)cc21
InChIInChI=1S/C21H17N3O5/c1-12-15-8-13(6-7-17(15)23-20(12)27)18(25)10-29-19(26)9-24-11-22-16-5-3-2-4-14(16)21(24)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)/t12-/m0/s1
InChIKeyLTQIUTMSZXZQNI-LBPRGKRZSA-N
XLogP1.88
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405569
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8678039
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8539890
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995265
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 8982143
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] adamantane-1-carboxylate
CID 9017892
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 9405935) is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is C[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)Cn3cnc4ccccc4c3=O)cc21.
What is the InChIKey of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is LTQIUTMSZXZQNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-12-15-8-13(6-7-17(15)23-20(12)27)18(25)10-29-19(26)9-24-11-22-16-5-3-2-4-14(16)21(24)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)/t12-/m0/s1.
What are the key properties of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 391.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 9405935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).