1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone

C19H17N3O2 — CID 5000915

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C19H17N3O2/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
InChIKeyJAZSCYRNVMAEHZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 5000915) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
PubChem CID5000915
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C19H17N3O2/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
InChIKeyJAZSCYRNVMAEHZ-UHFFFAOYSA-N
XLogP2.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2079516
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2370472
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone (CID 5000915) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone is CC1Cc2ccccc2N1C(=O)COc1ncnc2ccccc12.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is JAZSCYRNVMAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/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.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 319.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 5000915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).