1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone

C19H17N3OS — CID 2370472

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13-10-14-6-2-5-9-17(14)22(13)18(23)11-24-19-15-7-3-4-8-16(15)20-12-21-19/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1
InChIKeyJBZMLQQIAOSAKM-CYBMUJFWSA-N
MW335.43 g/mol
LogP3.70
Rot. Bonds3

About 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone (PubChem CID 2370472) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
PubChem CID2370472
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13-10-14-6-2-5-9-17(14)22(13)18(23)11-24-19-15-7-3-4-8-16(15)20-12-21-19/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1
InChIKeyJBZMLQQIAOSAKM-CYBMUJFWSA-N
XLogP3.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
CID 5000915
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 9321440
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 25451162
3-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5040755
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 42890172
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
CID 2385126
1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2378987
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 4024181
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2028772
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2097423

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone (CID 2370472) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone is C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncnc2ccccc12.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is JBZMLQQIAOSAKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-10-14-6-2-5-9-17(14)22(13)18(23)11-24-19-15-7-3-4-8-16(15)20-12-21-19/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 335.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 2370472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).