1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone

C24H26N4O2S — CID 25451162

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C24H26N4O2S/c1-17-14-18-6-2-5-9-21(18)28(17)23(29)16-31-24-19-7-3-4-8-20(19)25-22(26-24)15-27-10-12-30-13-11-27/h2-9,17H,10-16H2,1H3/t17-/m1/s1
InChIKeyKAHOYOQSNWDDSB-QGZVFWFLSA-N
MW434.57 g/mol
LogP3.53
Rot. Bonds5

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

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone (PubChem CID 25451162) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
PubChem CID25451162
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C24H26N4O2S/c1-17-14-18-6-2-5-9-21(18)28(17)23(29)16-31-24-19-7-3-4-8-20(19)25-22(26-24)15-27-10-12-30-13-11-27/h2-9,17H,10-16H2,1H3/t17-/m1/s1
InChIKeyKAHOYOQSNWDDSB-QGZVFWFLSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2370472
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 9321440
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
3-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5040755
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
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
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
3-(3-hydroxypropyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42982420
3-(furan-2-ylmethyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4780529
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-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone (CID 25451162) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone is C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone?
The InChIKey is KAHOYOQSNWDDSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-14-18-6-2-5-9-21(18)28(17)23(29)16-31-24-19-7-3-4-8-20(19)25-22(26-24)15-27-10-12-30-13-11-27/h2-9,17H,10-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone has a molecular weight of 434.57 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone is sourced from PubChem (CID 25451162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).