3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one

C22H19N3O3S — CID 8982143

IUPAC3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)CSc3nc4ccccc4c(=O)n3C3CC3)cc21
InChIInChI=1S/C22H19N3O3S/c1-12-16-10-13(6-9-18(16)23-20(12)27)19(26)11-29-22-24-17-5-3-2-4-15(17)21(28)25(22)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyRHCOGDDTVZFOEP-GFCCVEGCSA-N
MW405.48 g/mol
LogP3.76
Rot. Bonds5

About 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one

3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 8982143) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID8982143
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)CSc3nc4ccccc4c(=O)n3C3CC3)cc21
InChIInChI=1S/C22H19N3O3S/c1-12-16-10-13(6-9-18(16)23-20(12)27)19(26)11-29-22-24-17-5-3-2-4-15(17)21(28)25(22)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyRHCOGDDTVZFOEP-GFCCVEGCSA-N
XLogP3.76
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565
3-cyclopropyl-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980119
3-cyclopropyl-2-[2-(2,5-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980370
N-(1-adamantylmethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8981568
3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8981402
3-cyclopropyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 8981120
(3R)-5-[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 51469334
(3S)-5-[2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 41036971
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one (CID 8982143) is 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one is C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nc4ccccc4c(=O)n3C3CC3)cc21.
What is the InChIKey of 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is RHCOGDDTVZFOEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-12-16-10-13(6-9-18(16)23-20(12)27)19(26)11-29-22-24-17-5-3-2-4-15(17)21(28)25(22)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,27)/t12-/m1/s1.
What are the key properties of 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 405.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).